1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol

C14H10BrF3O — CID 65148052

IUPAC1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6,13,19H,7H2
InChIKeyOKVCURZHGFCUEP-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.14
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol

1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol (PubChem CID 65148052) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
PubChem CID65148052
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6,13,19H,7H2
InChIKeyOKVCURZHGFCUEP-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502950
4-[2-(2,3-difluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481026
2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
CID 115838074
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol (CID 65148052) is 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol is OC(Cc1cccc(F)c1F)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol?
The InChIKey is OKVCURZHGFCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6,13,19H,7H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol?
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol has a molecular weight of 331.13 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 65148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).