cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one

C12H13FO2 — CID 11481188

IUPACcis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1C[C@H](CO)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C12H13FO2/c13-10-3-1-2-8(4-10)12-6-11(15)5-9(12)7-14/h1-4,9,12,14H,5-7H2/t9-,12-/m1/s1
InChIKeyZOTZZZACPUECKH-BXKDBHETSA-N
MW208.23 g/mol
LogP1.88
Rot. Bonds2

About cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one

cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one (PubChem CID 11481188) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
PubChem CID11481188
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namecis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1C[C@H](CO)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C12H13FO2/c13-10-3-1-2-8(4-10)12-6-11(15)5-9(12)7-14/h1-4,9,12,14H,5-7H2/t9-,12-/m1/s1
InChIKeyZOTZZZACPUECKH-BXKDBHETSA-N
XLogP1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-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 cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one (CID 11481188) is cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one is O=C1C[C@H](CO)[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is ZOTZZZACPUECKH-BXKDBHETSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-3-1-2-8(4-10)12-6-11(15)5-9(12)7-14/h1-4,9,12,14H,5-7H2/t9-,12-/m1/s1.
What are the key properties of cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 208.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 11481188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).