2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone

C13H15F2NO — CID 116578623

IUPAC2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
SMILESNC1(CC(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C13H15F2NO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2
InChIKeyWDOLHIUSYYHHTG-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.81
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone

2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 116578623) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
PubChem CID116578623
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
SMILESNC1(CC(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C13H15F2NO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2
InChIKeyWDOLHIUSYYHHTG-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
2-(1-aminocyclopentyl)-N-[1-(2,6-difluorophenyl)ethyl]acetamide
CID 64684072
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone (CID 116578623) is 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone is NC1(CC(=O)c2cccc(F)c2F)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is WDOLHIUSYYHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone?
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 239.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 116578623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).