3,5-Difluoro-n-phenylaniline
TL;DR: 3,5-Difluoro-n-phenylaniline (CAS 31105-91-6) is a chemical compound with molecular formula C12H9F2N and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-difluoro-N-phenylaniline
Also Known As: 3,5-difluoro-n-phenylaniline, 3,5-Difluoro-L-phenylaniline, (3,5-difluoro-phenyl)-phenyl-amine
| Molecular Formula | C12H9F2N |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.07031 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 31105-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC(=CC(=C2)F)F |
| InChIKey | OIDCMQMCKBZXCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Difluoro-n-phenylaniline (CAS 31105-91-6), with molecular formula C12H9F2N and molecular weight 205.07 g/mol. IUPAC: 3,5-difluoro-N-phenylaniline.
Chemical Property Profile of 3,5-Difluoro-n-phenylaniline
Property Insights of 3,5-Difluoro-n-phenylaniline
The XLogP value of 3.7 indicates that 3,5-Difluoro-n-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3,5-Difluoro-n-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluoro-n-phenylaniline has 1 hydrogen bond donor(s) and 3 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 3,5-Difluoro-n-phenylaniline?
The CAS number of 3,5-Difluoro-n-phenylaniline is 31105-91-6.
What is the molecular formula of 3,5-Difluoro-n-phenylaniline?
The molecular formula of 3,5-Difluoro-n-phenylaniline is C12H9F2N.
What is the molecular weight of 3,5-Difluoro-n-phenylaniline?
The molecular weight of 3,5-Difluoro-n-phenylaniline is 205.07 g/mol.
Where can I buy 3,5-Difluoro-n-phenylaniline?
You can request a quote for 3,5-Difluoro-n-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Difluoro-n-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Difluoro-n-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.