1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C16H20F3NO — CID 79057674

IUPAC1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C16H20F3NO/c1-20(2)15(8-3-4-9-15)14(21)11-12-6-5-7-13(10-12)16(17,18)19/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyNFYDZNNQSVGPQM-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.69
Rot. Bonds4

About 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 79057674) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID79057674
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C16H20F3NO/c1-20(2)15(8-3-4-9-15)14(21)11-12-6-5-7-13(10-12)16(17,18)19/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyNFYDZNNQSVGPQM-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
CID 79052661
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 79057674) is 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone is CN(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NFYDZNNQSVGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-20(2)15(8-3-4-9-15)14(21)11-12-6-5-7-13(10-12)16(17,18)19/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 79057674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).