1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one

C15H19FO — CID 115812569

IUPAC1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CC1CCCC1
InChIInChI=1S/C15H19FO/c1-11-8-14(16)7-6-13(11)10-15(17)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyDTWDUBHUVTYHMM-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.83
Rot. Bonds4

About 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one (PubChem CID 115812569) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
PubChem CID115812569
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CC1CCCC1
InChIInChI=1S/C15H19FO/c1-11-8-14(16)7-6-13(11)10-15(17)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyDTWDUBHUVTYHMM-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
1-[1-(aminomethyl)cyclohexyl]-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350536

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one (CID 115812569) is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one is Cc1cc(F)ccc1CC(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is DTWDUBHUVTYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-11-8-14(16)7-6-13(11)10-15(17)9-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one?
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 234.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 115812569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).