二甲氨基甲酰氟
TL;DR: 二甲氨基甲酰氟 (CAS 431-14-1) is a chemical compound with molecular formula C3H6FNO and molecular weight 91.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲氨基甲酰氟
N,N-dimethylcarbamoyl fluoride
Also Known As: Dimethylcarbamyl fluoride, Dimethylcarbamic fluoride, Dimethylcarbamoyl fluoride, N,N-Dimethylcarbamoyl fluoride, Carbamic fluoride, dimethyl-
| Molecular Formula | C3H6FNO |
|---|---|
| Molecular Weight | 91.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.04334 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 431-14-1 |
|---|---|
| SMILES | CN(C)C(=O)F |
| InChIKey | IRSDGYFTDVBVAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲氨基甲酰氟 (CAS 431-14-1), with molecular formula C3H6FNO and molecular weight 91.04 g/mol. IUPAC: N,N-dimethylcarbamoyl fluoride.
Chemical Property Profile of 二甲氨基甲酰氟
Property Insights of 二甲氨基甲酰氟
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲氨基甲酰氟. With a topological polar surface area (TPSA) of 20.3 Ų, 二甲氨基甲酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲氨基甲酰氟 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 二甲氨基甲酰氟?
The CAS number of 二甲氨基甲酰氟 is 431-14-1.
What is the molecular formula of 二甲氨基甲酰氟?
The molecular formula of 二甲氨基甲酰氟 is C3H6FNO.
What is the molecular weight of 二甲氨基甲酰氟?
The molecular weight of 二甲氨基甲酰氟 is 91.04 g/mol.
Where can I buy 二甲氨基甲酰氟?
You can request a quote for 二甲氨基甲酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲氨基甲酰氟?
Yes, KEHONG BIO provides custom synthesis services for 二甲氨基甲酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.