2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate

C9H6BrClF3NO2 — CID 81271801

IUPAC2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Br)OCC(F)(F)F
InChIInChI=1S/C9H6BrClF3NO2/c10-6-2-1-5(11)3-7(6)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyUUBQZPLAQVBIGO-UHFFFAOYSA-N
MW332.50 g/mol
LogP4.21
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate

2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate (PubChem CID 81271801) has the molecular formula C9H6BrClF3NO2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
PubChem CID81271801
Molecular FormulaC9H6BrClF3NO2
Molecular Weight332.50 g/mol
Exact Mass330.92
IUPAC Name2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Br)OCC(F)(F)F
InChIInChI=1S/C9H6BrClF3NO2/c10-6-2-1-5(11)3-7(6)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyUUBQZPLAQVBIGO-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
CID 65173264
2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81272508
5-chloro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170588
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
2,2,2-trifluoroethyl N-(2,3,4-trifluorophenyl)carbamate
CID 39871456
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
CID 43347868
1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 112700262
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
CID 81271266
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate (CID 81271801) is 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Br)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate?
The InChIKey is UUBQZPLAQVBIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO2/c10-6-2-1-5(11)3-7(6)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate?
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate has a molecular weight of 332.50 g/mol, XLogP of 4.21, 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-5-chlorophenyl)carbamate is sourced from PubChem (CID 81271801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).