1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone

C13H16FNO — CID 117046703

IUPAC1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2ccc(N)c(F)c2)CCCC1
InChIInChI=1S/C13H16FNO/c1-9(16)13(6-2-3-7-13)10-4-5-12(15)11(14)8-10/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyKXTGGPMIYLXPIL-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.81
Rot. Bonds2

About 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone

1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone (PubChem CID 117046703) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
PubChem CID117046703
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2ccc(N)c(F)c2)CCCC1
InChIInChI=1S/C13H16FNO/c1-9(16)13(6-2-3-7-13)10-4-5-12(15)11(14)8-10/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyKXTGGPMIYLXPIL-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[1-[4-amino-3-(2-trimethylsilylethynyl)phenyl]cyclopropyl]ethanone
CID 59636806
1-[1-(4-ethylphenyl)cyclopentyl]ethanone
CID 82284998
1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone
CID 144754940
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone (CID 117046703) is 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone is CC(=O)C1(c2ccc(N)c(F)c2)CCCC1.
What is the InChIKey of 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone?
The InChIKey is KXTGGPMIYLXPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(16)13(6-2-3-7-13)10-4-5-12(15)11(14)8-10/h4-5,8H,2-3,6-7,15H2,1H3.
What are the key properties of 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone?
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone is sourced from PubChem (CID 117046703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).