(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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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).