2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride

C13H16ClF2NO — CID 158839827

IUPAC2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride
SMILESCC1CCCC(N)(c2cc(F)ccc2F)C1=O.Cl
InChIInChI=1S/C13H15F2NO.ClH/c1-8-3-2-6-13(16,12(8)17)10-7-9(14)4-5-11(10)15;/h4-5,7-8H,2-3,6,16H2,1H3;1H
InChIKeyJLOKMEAECYLZFX-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.93
Rot. Bonds1

About 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride

2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride (PubChem CID 158839827) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride
PubChem CID158839827
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride
SMILESCC1CCCC(N)(c2cc(F)ccc2F)C1=O.Cl
InChIInChI=1S/C13H15F2NO.ClH/c1-8-3-2-6-13(16,12(8)17)10-7-9(14)4-5-11(10)15;/h4-5,7-8H,2-3,6,16H2,1H3;1H
InChIKeyJLOKMEAECYLZFX-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 55120889
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol
CID 79330754
4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107191
2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
CID 159652765
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
(4S)-2-amino-2-(5-chloro-2-fluorophenyl)-4-methylcyclohexan-1-one
CID 139573780
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride (CID 158839827) is 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride is CC1CCCC(N)(c2cc(F)ccc2F)C1=O.Cl.
What is the InChIKey of 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride?
The InChIKey is JLOKMEAECYLZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO.ClH/c1-8-3-2-6-13(16,12(8)17)10-7-9(14)4-5-11(10)15;/h4-5,7-8H,2-3,6,16H2,1H3;1H.
What are the key properties of 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride?
2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride has a molecular weight of 275.73 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-difluorophenyl)-6-methylcyclohexan-1-one;hydrochloride is sourced from PubChem (CID 158839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).