3-(4-fluoro-3-methylphenyl)cyclopentan-1-one

C12H13FO — CID 64521311

IUPAC3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
SMILESCc1cc(C2CCC(=O)C2)ccc1F
InChIInChI=1S/C12H13FO/c1-8-6-9(3-5-12(8)13)10-2-4-11(14)7-10/h3,5-6,10H,2,4,7H2,1H3
InChIKeyBFRBQMRCDNPQLP-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.97
Rot. Bonds1

About 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one

3-(4-fluoro-3-methylphenyl)cyclopentan-1-one (PubChem CID 64521311) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
PubChem CID64521311
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
SMILESCc1cc(C2CCC(=O)C2)ccc1F
InChIInChI=1S/C12H13FO/c1-8-6-9(3-5-12(8)13)10-2-4-11(14)7-10/h3,5-6,10H,2,4,7H2,1H3
InChIKeyBFRBQMRCDNPQLP-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one (CID 64521311) is 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one is Cc1cc(C2CCC(=O)C2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one?
The InChIKey is BFRBQMRCDNPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8-6-9(3-5-12(8)13)10-2-4-11(14)7-10/h3,5-6,10H,2,4,7H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one?
3-(4-fluoro-3-methylphenyl)cyclopentan-1-one has a molecular weight of 192.23 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 64521311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).