1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C10H6BrF7O — CID 106648357

IUPAC1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cccc(Br)c1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6BrF7O/c11-5-3-1-2-4(6(5)12)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H
InChIKeyFRCHXXAZOVGNGA-UHFFFAOYSA-N
MW355.05 g/mol
LogP4.36
Rot. Bonds2

About 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 106648357) has the molecular formula C10H6BrF7O and a molecular weight of 355.05 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID106648357
Molecular FormulaC10H6BrF7O
Molecular Weight355.05 g/mol
Exact Mass353.95
IUPAC Name1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cccc(Br)c1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6BrF7O/c11-5-3-1-2-4(6(5)12)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H
InChIKeyFRCHXXAZOVGNGA-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 106648357) is 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OC(c1cccc(Br)c1F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is FRCHXXAZOVGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF7O/c11-5-3-1-2-4(6(5)12)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 355.05 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 106648357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).