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

C14H10BrClF2O — CID 82919458

IUPAC1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClF2O/c15-10-7-9(2-3-11(10)16)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2
InChIKeyVTFOSWLRZGBFAS-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.66
Rot. Bonds3

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

1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 82919458) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID82919458
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClF2O/c15-10-7-9(2-3-11(10)16)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2
InChIKeyVTFOSWLRZGBFAS-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol (CID 82919458) is 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol is OC(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is VTFOSWLRZGBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-10-7-9(2-3-11(10)16)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7,14,19H,6H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 347.59 g/mol, XLogP of 4.66, 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-chlorophenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 82919458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).