3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one

C12H13FO2 — CID 11401521

IUPAC3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CC(CO)C(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
InChIKeyZOTZZZACPUECKH-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.88
Rot. Bonds2

About 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one

3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one (PubChem CID 11401521) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
PubChem CID11401521
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CC(CO)C(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
InChIKeyZOTZZZACPUECKH-UHFFFAOYSA-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

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Related Compounds

1-(4-Fluorophenyl)-5-hydroxydodecan-3-one
CID 137432122
1-(4-Fluorophenyl)-5-hydroxydecan-3-one
CID 137432349
1-Hydroxy-5-phenyl-3-pentanone
CID 15316212
2-Phenylcyclopentane-1-carboxylic acid
CID 344795
1-(3,4-Difluorophenyl)-5-hydroxyoctan-3-one
CID 156009792
1-(4-Fluorophenyl)-5-hydroxyoctan-3-one
CID 156015614
1-(4-Fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-Fluorophenyl)-4-hydroxybutan-1-one
CID 16769876
2-(4-Fluorophenyl)cyclopentane-1-carboxylic acid
CID 68728311
4-Benzyl-3-hydroxycyclopent-2-en-1-one
CID 127048070
(3s,4s)-3-(3-Fluorophenyl)-4-(hydroxymethyl)cyclopentanone
CID 11481188
cis-methyl (1R,2R)-2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
CID 12033610

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one (CID 11401521) is 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one is O=C1CC(CO)C(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is ZOTZZZACPUECKH-UHFFFAOYSA-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.
What are the key properties of 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one?
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 3-(3-fluorophenyl)-4-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 11401521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).