2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one

C12H13FO2 — CID 70110261

IUPAC2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCC(CO)C1c1cccc(F)c1
InChIInChI=1S/C12H13FO2/c13-10-3-1-2-8(6-10)12-9(7-14)4-5-11(12)15/h1-3,6,9,12,14H,4-5,7H2
InChIKeyIGZDWGURCFCCKF-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one

2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one (PubChem CID 70110261) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one
PubChem CID70110261
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCC(CO)C1c1cccc(F)c1
InChIInChI=1S/C12H13FO2/c13-10-3-1-2-8(6-10)12-9(7-14)4-5-11(12)15/h1-3,6,9,12,14H,4-5,7H2
InChIKeyIGZDWGURCFCCKF-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one (CID 70110261) is 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one is O=C1CCC(CO)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is IGZDWGURCFCCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-3-1-2-8(6-10)12-9(7-14)4-5-11(12)15/h1-3,6,9,12,14H,4-5,7H2.
What are the key properties of 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one?
2-(3-fluorophenyl)-3-(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 2-(3-fluorophenyl)-3-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 70110261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).