3-amino-3-(2-fluorophenyl)cyclopentan-1-one

C11H12FNO — CID 115019349

IUPAC3-amino-3-(2-fluorophenyl)cyclopentan-1-one
SMILESNC1(c2ccccc2F)CCC(=O)C1
InChIInChI=1S/C11H12FNO/c12-10-4-2-1-3-9(10)11(13)6-5-8(14)7-11/h1-4H,5-7,13H2
InChIKeyIYKAYLWZANZXAI-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.73
Rot. Bonds1

About 3-amino-3-(2-fluorophenyl)cyclopentan-1-one

3-amino-3-(2-fluorophenyl)cyclopentan-1-one (PubChem CID 115019349) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-amino-3-(2-fluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-amino-3-(2-fluorophenyl)cyclopentan-1-one
PubChem CID115019349
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-amino-3-(2-fluorophenyl)cyclopentan-1-one
SMILESNC1(c2ccccc2F)CCC(=O)C1
InChIInChI=1S/C11H12FNO/c12-10-4-2-1-3-9(10)11(13)6-5-8(14)7-11/h1-4H,5-7,13H2
InChIKeyIYKAYLWZANZXAI-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
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(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
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3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473
4-(2-fluorophenyl)-4-(4-methoxyphenyl)cyclohexan-1-one
CID 71245096
5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
CID 105446893
3,3-bis(2-chlorophenyl)cyclopentan-1-one
CID 142095772
1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269480
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
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1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-fluorophenyl)cyclopentan-1-one?
The IUPAC name of 3-amino-3-(2-fluorophenyl)cyclopentan-1-one (CID 115019349) is 3-amino-3-(2-fluorophenyl)cyclopentan-1-one.
What is the SMILES notation for 3-amino-3-(2-fluorophenyl)cyclopentan-1-one?
The canonical SMILES for 3-amino-3-(2-fluorophenyl)cyclopentan-1-one is NC1(c2ccccc2F)CCC(=O)C1.
What is the InChIKey of 3-amino-3-(2-fluorophenyl)cyclopentan-1-one?
The InChIKey is IYKAYLWZANZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-4-2-1-3-9(10)11(13)6-5-8(14)7-11/h1-4H,5-7,13H2.
What are the key properties of 3-amino-3-(2-fluorophenyl)cyclopentan-1-one?
3-amino-3-(2-fluorophenyl)cyclopentan-1-one has a molecular weight of 193.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-fluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 115019349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).