Α,α-二氟甲苯
TL;DR: Α,α-二氟甲苯 (CAS 455-31-2) is a chemical compound with molecular formula C7H6F2 and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α,α-二氟甲苯
difluoromethylbenzene
Also Known As: (difluoromethyl)benzene, difluoromethylbenzene, benzene, Benzalfluorid, benzal fluoride
| Molecular Formula | C7H6F2 |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.04376 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 455-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(F)F |
| InChIKey | JDZLOJYSBBLXQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α,α-二氟甲苯 (CAS 455-31-2), with molecular formula C7H6F2 and molecular weight 128.04 g/mol. IUPAC: difluoromethylbenzene.
Chemical Property Profile of Α,α-二氟甲苯
Property Insights of Α,α-二氟甲苯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α,α-二氟甲苯. With a topological polar surface area (TPSA) of 0.0 Ų, Α,α-二氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α,α-二氟甲苯 has 0 hydrogen bond donor(s) and 2 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 Α,α-二氟甲苯?
The CAS number of Α,α-二氟甲苯 is 455-31-2.
What is the molecular formula of Α,α-二氟甲苯?
The molecular formula of Α,α-二氟甲苯 is C7H6F2.
What is the molecular weight of Α,α-二氟甲苯?
The molecular weight of Α,α-二氟甲苯 is 128.04 g/mol.
Where can I buy Α,α-二氟甲苯?
You can request a quote for Α,α-二氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α,α-二氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for Α,α-二氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.