cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone

C13H13FO — CID 81481190

IUPACcyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1F
InChIInChI=1S/C13H13FO/c1-9-5-4-8-11(12(9)14)13(15)10-6-2-3-7-10/h4-6,8H,2-3,7H2,1H3
InChIKeyXZQHPQMPVMLWJB-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.43
Rot. Bonds2

About cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone

cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81481190) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
PubChem CID81481190
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Namecyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1F
InChIInChI=1S/C13H13FO/c1-9-5-4-8-11(12(9)14)13(15)10-6-2-3-7-10/h4-6,8H,2-3,7H2,1H3
InChIKeyXZQHPQMPVMLWJB-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
CID 107096169
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclopenten-1-yl-(3-methylphenyl)methanone
CID 62080308
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
CID 62079364
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone (CID 81481190) is cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)C2=CCCC2)c1F.
What is the InChIKey of cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is XZQHPQMPVMLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c1-9-5-4-8-11(12(9)14)13(15)10-6-2-3-7-10/h4-6,8H,2-3,7H2,1H3.
What are the key properties of cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone?
cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 204.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).