2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol

C12H16ClFO — CID 115401188

IUPAC2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFO/c1-11(2,3)12(4,15)9-6-5-8(13)7-10(9)14/h5-7,15H,1-4H3
InChIKeyKUWVXKCFBHOVBY-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.73
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol

2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol (PubChem CID 115401188) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
PubChem CID115401188
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFO/c1-11(2,3)12(4,15)9-6-5-8(13)7-10(9)14/h5-7,15H,1-4H3
InChIKeyKUWVXKCFBHOVBY-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol 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-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
CID 58392419
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
4-fluoro-3-(2-hydroxypropan-2-yl)phenol
CID 84653712
3-(4-chloro-2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 81023609
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
CID 61472351
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446096
2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
CID 112566175

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol (CID 115401188) is 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is KUWVXKCFBHOVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-11(2,3)12(4,15)9-6-5-8(13)7-10(9)14/h5-7,15H,1-4H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol?
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 230.71 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 115401188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).