tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
TL;DR: tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (CAS 52786-55-7) is a chemical compound with molecular formula C8H9F6NO2 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
Also Known As: TERT-BUTYL -CARBAMATE, tert-Butyl (2,2,2-Trifluoro-1-trifluoromethyl-ethylidene)-carbamate, hexafluoroacetone n-tert-butoxycarbonyl imine, hexafluoroacetonen-tert-butoxycarbonylimine, tert-butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
| Molecular Formula | C8H9F6NO2 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 3.4871 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.05374 |
| Heavy Atoms | 17 |
| Complexity | 306.37778 |
Chemical Identifiers
| CAS Number | 52786-55-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N=C(C(F)(F)F)C(F)(F)F |
Product Overview
tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (CAS 52786-55-7), with molecular formula C8H9F6NO2 and molecular weight 265.05 g/mol. IUPAC: tert-butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate.
Chemical Property Profile of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
Property Insights of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
The XLogP value of 3.4871 indicates that tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate 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 tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The CAS number of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is 52786-55-7.
What is the molecular formula of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The molecular formula of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is C8H9F6NO2.
What is the molecular weight of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The molecular weight of tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is 265.05 g/mol.
Where can I buy tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
You can request a quote for tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.