1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol

C14H10BrClF2O — CID 107954110

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c15-10-5-2-4-9(14(10)18)12(19)7-8-3-1-6-11(17)13(8)16/h1-6,12,19H,7H2
InChIKeyQYWLYNYOQXDXPG-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.66
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol

1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 107954110) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID107954110
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c15-10-5-2-4-9(14(10)18)12(19)7-8-3-1-6-11(17)13(8)16/h1-6,12,19H,7H2
InChIKeyQYWLYNYOQXDXPG-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

1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 107954110) is 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1Cl)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is QYWLYNYOQXDXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-10-5-2-4-9(14(10)18)12(19)7-8-3-1-6-11(17)13(8)16/h1-6,12,19H,7H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)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-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 107954110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).