2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol

C14H16BrF3O — CID 105088370

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESOC(Cc1cc(F)ccc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C14H16BrF3O/c15-12-2-1-11(16)7-10(12)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2
InChIKeyVWIISVPNPIYWBY-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.32
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol (PubChem CID 105088370) has the molecular formula C14H16BrF3O and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
PubChem CID105088370
Molecular FormulaC14H16BrF3O
Molecular Weight337.18 g/mol
Exact Mass336.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESOC(Cc1cc(F)ccc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C14H16BrF3O/c15-12-2-1-11(16)7-10(12)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2
InChIKeyVWIISVPNPIYWBY-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol (CID 105088370) is 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol is OC(Cc1cc(F)ccc1Br)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
The InChIKey is VWIISVPNPIYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3O/c15-12-2-1-11(16)7-10(12)8-13(19)9-3-5-14(17,18)6-4-9/h1-2,7,9,13,19H,3-6,8H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol has a molecular weight of 337.18 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol is sourced from PubChem (CID 105088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).