(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one

C13H15FO2 — CID 54752641

IUPAC(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@H](O)c1ccccc1F
InChIInChI=1S/C13H15FO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2/t10-,13-/m1/s1
InChIKeyQFHAKZVPPPXVHO-ZWNOBZJWSA-N
MW222.26 g/mol
LogP2.62
Rot. Bonds2

About (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one

(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one (PubChem CID 54752641) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one
PubChem CID54752641
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@H](O)c1ccccc1F
InChIInChI=1S/C13H15FO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2/t10-,13-/m1/s1
InChIKeyQFHAKZVPPPXVHO-ZWNOBZJWSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one (CID 54752641) is (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@H](O)c1ccccc1F.
What is the InChIKey of (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one?
The InChIKey is QFHAKZVPPPXVHO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H15FO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2/t10-,13-/m1/s1.
What are the key properties of (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one?
(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one has a molecular weight of 222.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one is sourced from PubChem (CID 54752641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).