2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate

C9H5BrF5NO2 — CID 43347868

IUPAC2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cc(F)cc1Br)OCC(F)(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-5-1-4(11)2-6(12)7(5)16-8(17)18-3-9(13,14)15/h1-2H,3H2,(H,16,17)
InChIKeyMXOVWOLEULLIOD-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.84
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate

2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate (PubChem CID 43347868) has the molecular formula C9H5BrF5NO2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
PubChem CID43347868
Molecular FormulaC9H5BrF5NO2
Molecular Weight334.04 g/mol
Exact Mass332.94
IUPAC Name2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
SMILESO=C(Nc1c(F)cc(F)cc1Br)OCC(F)(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-5-1-4(11)2-6(12)7(5)16-8(17)18-3-9(13,14)15/h1-2H,3H2,(H,16,17)
InChIKeyMXOVWOLEULLIOD-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate (CID 43347868) is 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate is O=C(Nc1c(F)cc(F)cc1Br)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate?
The InChIKey is MXOVWOLEULLIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO2/c10-5-1-4(11)2-6(12)7(5)16-8(17)18-3-9(13,14)15/h1-2H,3H2,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate?
2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate has a molecular weight of 334.04 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate is sourced from PubChem (CID 43347868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).