1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol

C12H16ClFO — CID 103038887

IUPAC1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-8(2)12(3,15)7-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeySPNBDPCLZYRMEW-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol

1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol (PubChem CID 103038887) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
PubChem CID103038887
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-8(2)12(3,15)7-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeySPNBDPCLZYRMEW-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-fluorophenyl)-2,3-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-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
4-[2,2-bis(chloromethyl)-4-methylpentyl]-2-chloro-1-fluorobenzene
CID 103042148
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
3-(3-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 103041034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol (CID 103038887) is 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol?
The InChIKey is SPNBDPCLZYRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-8(2)12(3,15)7-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol?
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol has a molecular weight of 230.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103038887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).