1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone

C13H16FNO — CID 116558669

IUPAC1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2cccc(F)c2)CCCC1
InChIInChI=1S/C13H16FNO/c14-11-5-3-4-10(8-11)9-12(16)13(15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2
InChIKeyZOOQRCWSVMMGMV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone

1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116558669) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
PubChem CID116558669
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2cccc(F)c2)CCCC1
InChIInChI=1S/C13H16FNO/c14-11-5-3-4-10(8-11)9-12(16)13(15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2
InChIKeyZOOQRCWSVMMGMV-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
2-(3-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080498
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone (CID 116558669) is 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone is NC1(C(=O)Cc2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is ZOOQRCWSVMMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-5-3-4-10(8-11)9-12(16)13(15)6-1-2-7-13/h3-5,8H,1-2,6-7,9,15H2.
What are the key properties of 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone?
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116558669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).