2-Chloro-4-(heptafluoropropan-2-yl)aniline
TL;DR: 2-Chloro-4-(heptafluoropropan-2-yl)aniline (CAS 238098-31-2) is a chemical compound with molecular formula C9H5ClF7N and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Also Known As: 2-chloro-4-(heptafluoropropan-2-yl)aniline, 2-Chloro-4-(perfluoropropan-2-yl)aniline, 2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
| Molecular Formula | C9H5ClF7N |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 4.2116 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.99988 |
| Heavy Atoms | 18 |
| Complexity | 437.20987 |
Chemical Identifiers
| CAS Number | 238098-31-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)Cl)N |
Product Overview
2-Chloro-4-(heptafluoropropan-2-yl)aniline (CAS 238098-31-2), with molecular formula C9H5ClF7N and molecular weight 295.00 g/mol. IUPAC: 2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline.
Chemical Property Profile of 2-Chloro-4-(heptafluoropropan-2-yl)aniline
Property Insights of 2-Chloro-4-(heptafluoropropan-2-yl)aniline
The XLogP value of 4.2116 indicates that 2-Chloro-4-(heptafluoropropan-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 2-Chloro-4-(heptafluoropropan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(heptafluoropropan-2-yl)aniline has 1 hydrogen bond donor(s) and 1 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 2-Chloro-4-(heptafluoropropan-2-yl)aniline?
The CAS number of 2-Chloro-4-(heptafluoropropan-2-yl)aniline is 238098-31-2.
What is the molecular formula of 2-Chloro-4-(heptafluoropropan-2-yl)aniline?
The molecular formula of 2-Chloro-4-(heptafluoropropan-2-yl)aniline is C9H5ClF7N.
What is the molecular weight of 2-Chloro-4-(heptafluoropropan-2-yl)aniline?
The molecular weight of 2-Chloro-4-(heptafluoropropan-2-yl)aniline is 295.00 g/mol.
Where can I buy 2-Chloro-4-(heptafluoropropan-2-yl)aniline?
You can request a quote for 2-Chloro-4-(heptafluoropropan-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(heptafluoropropan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(heptafluoropropan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.