(3-Trifluoromethylphenyl)urea
TL;DR: (3-Trifluoromethylphenyl)urea (CAS 13114-87-9) is a chemical compound with molecular formula C8H7F3N2O and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl]urea
Also Known As: [3-(trifluoromethyl)phenyl]urea|1-(3-(Trifluoromethyl)phenyl)urea|3-(TRIFLUOROMETHYL)PHENYLUREA|1-[3-(trifluoromethyl)phenyl]urea|Didemethylfluometuron|3-Trifluoromethylphenylurea|N-(3-Trifluoromethylphenyl)urea|Fluometuron-N,N-desmethyl|N-[3-(trifluoromethyl)phenyl]urea|Urea, N-[3-(trifluoromethyl)phenyl]-|(3-trifluoromethylphenyl)urea|3-Ureidobenzotrifluoride|trifluoromethyl phenylurea|Urea, [3-(trifluoromethyl)phenyl]-|(3-(Trifluoromethyl)phenyl)urea|Urea, N-(3-(trifluoromethyl)phenyl)-|Urea, (3-(trifluoromethyl)phenyl)-|(3-trifluoromethyl-phenyl)-urea|3-(Carbamoylamino)benzotrifluoride|Urea,N-[3-(trifluoromethyl)phenyl]-|(M-(TRIFLUOROMETHYL)PHENYL)UREA|KS-00000NC2|N-[3-(trifluoro-methyl)phenyl]urea|1-(3-(tri-fluoromethyl)phenyl)urea|1-[3-(tri-fluoromethyl)phenyl]urea
| Molecular Formula | C8H7F3N2O |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.05104 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 13114-87-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)N)C(F)(F)F |
| InChIKey | FQEIBEOBXKJAMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Trifluoromethylphenyl)urea (CAS 13114-87-9), with molecular formula C8H7F3N2O and molecular weight 204.05 g/mol. IUPAC: [3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of (3-Trifluoromethylphenyl)urea
Property Insights of (3-Trifluoromethylphenyl)urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Trifluoromethylphenyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, (3-Trifluoromethylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Trifluoromethylphenyl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Trifluoromethylphenyl)urea?
The CAS number of (3-Trifluoromethylphenyl)urea is 13114-87-9.
What is the molecular formula of (3-Trifluoromethylphenyl)urea?
The molecular formula of (3-Trifluoromethylphenyl)urea is C8H7F3N2O.
What is the molecular weight of (3-Trifluoromethylphenyl)urea?
The molecular weight of (3-Trifluoromethylphenyl)urea is 204.05 g/mol.
Where can I buy (3-Trifluoromethylphenyl)urea?
You can request a quote for (3-Trifluoromethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Trifluoromethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (3-Trifluoromethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.