叔丁基二氟胺
TL;DR: 叔丁基二氟胺 (CAS 646-55-9) is a chemical compound with molecular formula CC(C)(C)N(F)F and molecular weight 109.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基二氟胺
N,N-difluoro-2-methylpropan-2-amine
Also Known As: t-Butyldifluoroamine, TERT-BUTYLDIFLUOROAMINE, N,N-Difluoro-tert-butylamine, N,N-difluoro-2-methylpropan-2-amine, 2-(difluoroamino )-2-methylpropane
| Molecular Formula | CC(C)(C)N(F)F |
|---|---|
| Molecular Weight | 109.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.070305 |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 646-55-9 |
|---|---|
| SMILES | CC(C)(C)N(F)F |
| InChIKey | LXLQMSOUIOCFMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基二氟胺 (CAS 646-55-9), with molecular formula CC(C)(C)N(F)F and molecular weight 109.07 g/mol. IUPAC: N,N-difluoro-2-methylpropan-2-amine.
Chemical Property Profile of 叔丁基二氟胺
Property Insights of 叔丁基二氟胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁基二氟胺. With a topological polar surface area (TPSA) of 3.2 Ų, 叔丁基二氟胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基二氟胺 has 0 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 叔丁基二氟胺?
The CAS number of 叔丁基二氟胺 is 646-55-9.
What is the molecular formula of 叔丁基二氟胺?
The molecular formula of 叔丁基二氟胺 is CC(C)(C)N(F)F.
What is the molecular weight of 叔丁基二氟胺?
The molecular weight of 叔丁基二氟胺 is 109.07 g/mol.
Where can I buy 叔丁基二氟胺?
You can request a quote for 叔丁基二氟胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基二氟胺?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基二氟胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.