3-(4-chloro-3-fluorophenyl)pentan-3-ol

C11H14ClFO — CID 91656809

IUPAC3-(4-chloro-3-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFO/c1-3-11(14,4-2)8-5-6-9(12)10(13)7-8/h5-7,14H,3-4H2,1-2H3
InChIKeyCKIQBHJQRIDKLP-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.49
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)pentan-3-ol

3-(4-chloro-3-fluorophenyl)pentan-3-ol (PubChem CID 91656809) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)pentan-3-ol
PubChem CID91656809
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name3-(4-chloro-3-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFO/c1-3-11(14,4-2)8-5-6-9(12)10(13)7-8/h5-7,14H,3-4H2,1-2H3
InChIKeyCKIQBHJQRIDKLP-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-3-fluorophenyl)pentan-3-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

3-(4-chloro-3-ethylphenyl)pentan-3-ol
CID 91655907
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 134402395
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
3-amino-2-(4-chloro-3-fluorophenyl)-2-methylpropan-1-ol
CID 83821833
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
4-[3-(4-chloro-3-fluorophenyl)pentan-3-yloxy]aniline
CID 118456044
1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
CID 107883693
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide
CID 173162270

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)pentan-3-ol?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)pentan-3-ol (CID 91656809) is 3-(4-chloro-3-fluorophenyl)pentan-3-ol.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)pentan-3-ol?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)pentan-3-ol is CCC(O)(CC)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)pentan-3-ol?
The InChIKey is CKIQBHJQRIDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-3-11(14,4-2)8-5-6-9(12)10(13)7-8/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)pentan-3-ol?
3-(4-chloro-3-fluorophenyl)pentan-3-ol has a molecular weight of 216.68 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)pentan-3-ol is sourced from PubChem (CID 91656809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).