2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone

C15H19F2NO — CID 82920793

IUPAC2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCN(C)C1(C(=O)Cc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C15H19F2NO/c1-18(2)15(7-3-4-8-15)14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyMFSGNJZSWOVBOI-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.95
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone

2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone (PubChem CID 82920793) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
PubChem CID82920793
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCN(C)C1(C(=O)Cc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C15H19F2NO/c1-18(2)15(7-3-4-8-15)14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyMFSGNJZSWOVBOI-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
1-[[2-(3,4-difluorophenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539989
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
CID 79075079
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
2-(3,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105124560
2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
2-(3-bromo-2,6-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 106266149
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone (CID 82920793) is 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone is CN(C)C1(C(=O)Cc2ccc(F)c(F)c2)CCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The InChIKey is MFSGNJZSWOVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-18(2)15(7-3-4-8-15)14(19)10-11-5-6-12(16)13(17)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone has a molecular weight of 267.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 82920793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).