2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol

C8H5BrF4O — CID 175463913

IUPAC2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)c1ccc(Br)cc1F
InChIInChI=1S/C8H5BrF4O/c9-4-1-2-5(6(10)3-4)8(12,13)7(11)14/h1-3,7,14H
InChIKeyGHXFCOOCSQIQMS-UHFFFAOYSA-N
MW273.02 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol

2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol (PubChem CID 175463913) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol
PubChem CID175463913
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)c1ccc(Br)cc1F
InChIInChI=1S/C8H5BrF4O/c9-4-1-2-5(6(10)3-4)8(12,13)7(11)14/h1-3,7,14H
InChIKeyGHXFCOOCSQIQMS-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol (CID 175463913) is 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol is OC(F)C(F)(F)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol?
The InChIKey is GHXFCOOCSQIQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O/c9-4-1-2-5(6(10)3-4)8(12,13)7(11)14/h1-3,7,14H.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol?
2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol has a molecular weight of 273.02 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1,2,2-trifluoroethanol is sourced from PubChem (CID 175463913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).