cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

C13H14F3NO2 — CID 139558994

IUPACcis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@@H](O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2/t10-,12-/m1/s1
InChIKeyGSLWKTVZHRQQMA-ZYHUDNBSSA-N
MW273.25 g/mol
LogP1.97
Rot. Bonds1

About cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 139558994) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID139558994
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Namecis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESN[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@@H](O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2/t10-,12-/m1/s1
InChIKeyGSLWKTVZHRQQMA-ZYHUDNBSSA-N
XLogP1.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxynorketamine, (2R,6R)-
CID 89504167
Hydroxynorketamine
CID 133669
Hydroxynorketamine, (2R,6R)-, hydrochloride
CID 121513910
(6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one
CID 44316523
(2R,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one
CID 89504077
(2S,6R)-2-Amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone
CID 89504351
(2S,6S)-2-Amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone
CID 71519584
(2R, 6R)-Hydroxynorketamine
CID 137795569
[(1S,3S)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]azanium chloride
CID 139050739
[(1R,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]azanium chloride
CID 139050743
cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one;hydrochloride
CID 139558993
2-Amino-2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-hydroxycyclohexan-1-one
CID 139558995

Frequently Asked Questions

What is the IUPAC name of cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 139558994) is cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is N[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[C@@H](O)C1=O.
What is the InChIKey of cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is GSLWKTVZHRQQMA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2/t10-,12-/m1/s1.
What are the key properties of cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 273.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139558994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).