1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol

C11H12ClF3O — CID 106867273

IUPAC1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
SMILESCc1ccc(CC(O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3O/c1-7-2-3-8(10(12)4-7)5-9(16)6-11(13,14)15/h2-4,9,16H,5-6H2,1H3
InChIKeyUCMIYHHHJPRQKK-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol

1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol (PubChem CID 106867273) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
PubChem CID106867273
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
SMILESCc1ccc(CC(O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3O/c1-7-2-3-8(10(12)4-7)5-9(16)6-11(13,14)15/h2-4,9,16H,5-6H2,1H3
InChIKeyUCMIYHHHJPRQKK-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-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-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
1-(2-chloro-4-methylphenyl)-4,6,6-trimethylheptan-2-ol
CID 106868167
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol (CID 106867273) is 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol is Cc1ccc(CC(O)CC(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol?
The InChIKey is UCMIYHHHJPRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-7-2-3-8(10(12)4-7)5-9(16)6-11(13,14)15/h2-4,9,16H,5-6H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol?
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol has a molecular weight of 252.66 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 106867273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).