2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one

C13H16FNO — CID 159652765

IUPAC2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(F)c(C2(N)CCCCC2=O)c1
InChIInChI=1S/C13H16FNO/c1-9-5-6-11(14)10(8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyPPAWRHIVQOTNRY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.43
Rot. Bonds1

About 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one

2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one (PubChem CID 159652765) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
PubChem CID159652765
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(F)c(C2(N)CCCCC2=O)c1
InChIInChI=1S/C13H16FNO/c1-9-5-6-11(14)10(8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyPPAWRHIVQOTNRY-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one (CID 159652765) is 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one is Cc1ccc(F)c(C2(N)CCCCC2=O)c1.
What is the InChIKey of 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one?
The InChIKey is PPAWRHIVQOTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-5-6-11(14)10(8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one?
2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one has a molecular weight of 221.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 159652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).