Heptanonitrile, 7-fluoro-
TL;DR: Heptanonitrile, 7-fluoro- (CAS 334-44-1) is a chemical compound with molecular formula C7H12FN and molecular weight 129.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoroheptanenitrile
Also Known As: 7-fluoroheptanenitrile, 7-Fluoroheptanonitrile, HEPTANONITRILE, 7-FLUORO-, 4-02-00-00964 (Beilstein Handbook Reference), BRN 1747616
| Molecular Formula | C7H12FN |
|---|---|
| Molecular Weight | 129.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 129.09538 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 334-44-1 |
|---|---|
| SMILES | C(CCCF)CCC#N |
| InChIKey | CFSMWCPJTYADHU-UHFFFAOYSA-N |
Product Overview
Heptanonitrile, 7-fluoro- (CAS 334-44-1), with molecular formula C7H12FN and molecular weight 129.10 g/mol. IUPAC: 7-fluoroheptanenitrile.
Chemical Property Profile of Heptanonitrile, 7-fluoro-
Property Insights of Heptanonitrile, 7-fluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanonitrile, 7-fluoro-. With a topological polar surface area (TPSA) of 23.8 Ų, Heptanonitrile, 7-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanonitrile, 7-fluoro- 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 Heptanonitrile, 7-fluoro-?
The CAS number of Heptanonitrile, 7-fluoro- is 334-44-1.
What is the molecular formula of Heptanonitrile, 7-fluoro-?
The molecular formula of Heptanonitrile, 7-fluoro- is C7H12FN.
What is the molecular weight of Heptanonitrile, 7-fluoro-?
The molecular weight of Heptanonitrile, 7-fluoro- is 129.10 g/mol.
Where can I buy Heptanonitrile, 7-fluoro-?
You can request a quote for Heptanonitrile, 7-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanonitrile, 7-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Heptanonitrile, 7-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.