1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone

C16H21FO — CID 114347257

IUPAC1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(F)cc2C)C1
InChIInChI=1S/C16H21FO/c1-3-12-4-5-14(9-12)16(18)10-13-6-7-15(17)8-11(13)2/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyWPCOYDYJZIPTKL-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347257) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347257
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(F)cc2C)C1
InChIInChI=1S/C16H21FO/c1-3-12-4-5-14(9-12)16(18)10-13-6-7-15(17)8-11(13)2/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyWPCOYDYJZIPTKL-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
CID 64560411
2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 114347355
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 171948121
2-(4-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948128
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
2-(4-fluoro-2-methylphenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171948131
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64740615
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylcyclopentyl)ethanone
CID 106266116

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347257) is 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone is CCC1CCC(C(=O)Cc2ccc(F)cc2C)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is WPCOYDYJZIPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-3-12-4-5-14(9-12)16(18)10-13-6-7-15(17)8-11(13)2/h6-8,12,14H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 248.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).