(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

C13H17ClFNO — CID 171381722

IUPAC(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
SMILESCN[C@@]1(c2ccccc2F)CCCCC1=O.Cl
InChIInChI=1S/C13H16FNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyFQOFLBNEXJTBJE-BTQNPOSSSA-N
MW257.74 g/mol
LogP2.81
Rot. Bonds2

About (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride (PubChem CID 171381722) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
PubChem CID171381722
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
SMILESCN[C@@]1(c2ccccc2F)CCCCC1=O.Cl
InChIInChI=1S/C13H16FNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyFQOFLBNEXJTBJE-BTQNPOSSSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
CID 155970795
2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
CID 67474909
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
2-(methylamino)-2-(2,3,4,5-tetradeuterio-6-fluorophenyl)cyclohexan-1-one;hydrochloride
CID 172875702
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
2-(2,3-difluorophenyl)-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169100300
cis-(2R,6S)-2-(2,3-difluorophenyl)-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one
CID 169100283
(2R)-2-(2-chlorophenyl)-6,6-dideuterio-2-(methylamino)cyclohexan-1-one
CID 140925792
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
2-[3-fluoro-2-(trifluoromethyl)phenyl]-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169100306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The IUPAC name of (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride (CID 171381722) is (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride is CN[C@@]1(c2ccccc2F)CCCCC1=O.Cl.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
The InChIKey is FQOFLBNEXJTBJE-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H16FNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride?
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride has a molecular weight of 257.74 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 (2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 171381722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).