(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol

C11H14ClFO — CID 94505356

IUPAC(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFO/c1-2-3-10(14)6-8-4-5-9(13)7-11(8)12/h4-5,7,10,14H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyOKFKZMNCFDMMOA-JTQLQIEISA-N
MW216.68 g/mol
LogP3.18
Rot. Bonds4

About (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol

(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol (PubChem CID 94505356) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
PubChem CID94505356
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFO/c1-2-3-10(14)6-8-4-5-9(13)7-11(8)12/h4-5,7,10,14H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyOKFKZMNCFDMMOA-JTQLQIEISA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-(2-chloro-4-fluorophenyl)pentan-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-fluorophenyl)pentan-2-ol
CID 62607073
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(2-chloro-4-fluorophenyl)hex-4-yn-2-ol
CID 63035454
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-tert-butylsulfanyl-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 65132928
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol?
The IUPAC name of (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol (CID 94505356) is (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol is CCC[C@H](O)Cc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol?
The InChIKey is OKFKZMNCFDMMOA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClFO/c1-2-3-10(14)6-8-4-5-9(13)7-11(8)12/h4-5,7,10,14H,2-3,6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol?
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol has a molecular weight of 216.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 94505356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).