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

C8H6BrF3O — CID 103947015

IUPAC1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)cc1Br)C(F)F
InChIInChI=1S/C8H6BrF3O/c9-6-3-4(10)1-2-5(6)7(13)8(11)12/h1-3,7-8,13H
InChIKeyVWTSQTLVNFVRPF-UHFFFAOYSA-N
MW255.03 g/mol
LogP2.89
Rot. Bonds2

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

1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol (PubChem CID 103947015) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
PubChem CID103947015
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)cc1Br)C(F)F
InChIInChI=1S/C8H6BrF3O/c9-6-3-4(10)1-2-5(6)7(13)8(11)12/h1-3,7-8,13H
InChIKeyVWTSQTLVNFVRPF-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
4-bromo-1-(2-bromo-4-fluorophenyl)butane-1,2-diol
CID 171893090
1-(2-bromo-4-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171894881
2-(aminomethyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-1-ol
CID 65185535
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
CID 103920530
1-(2-bromo-4-fluorophenyl)but-2-yn-1-ol
CID 130515808
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol (CID 103947015) is 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol is OC(c1ccc(F)cc1Br)C(F)F.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol?
The InChIKey is VWTSQTLVNFVRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-6-3-4(10)1-2-5(6)7(13)8(11)12/h1-3,7-8,13H.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol?
1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol has a molecular weight of 255.03 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 103947015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).