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

C14H10BrF3O — CID 106645063

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF3O/c15-11-3-1-2-10(14(11)18)13(19)6-8-4-5-9(16)7-12(8)17/h1-5,7,13,19H,6H2
InChIKeyQJQWUDWNCOADIR-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.14
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 106645063) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
PubChem CID106645063
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF3O/c15-11-3-1-2-10(14(11)18)13(19)6-8-4-5-9(16)7-12(8)17/h1-5,7,13,19H,6H2
InChIKeyQJQWUDWNCOADIR-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-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol (CID 106645063) is 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is QJQWUDWNCOADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-11-3-1-2-10(14(11)18)13(19)6-8-4-5-9(16)7-12(8)17/h1-5,7,13,19H,6H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol?
1-(3-bromo-2-fluorophenyl)-2-(2,4-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-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 106645063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).