2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

C13H14F3NO2 — CID 139559027

IUPAC2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2cccc(C(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-4-1-3-8(7-9)12(17)6-2-5-10(18)11(12)19/h1,3-4,7,10,18H,2,5-6,17H2
InChIKeyYNAVPLFYVBLTPS-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 139559027) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID139559027
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2cccc(C(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-4-1-3-8(7-9)12(17)6-2-5-10(18)11(12)19/h1,3-4,7,10,18H,2,5-6,17H2
InChIKeyYNAVPLFYVBLTPS-UHFFFAOYSA-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
(2R,6R)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139558994

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 139559027) is 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is NC1(c2cccc(C(F)(F)F)c2)CCCC(O)C1=O.
What is the InChIKey of 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is YNAVPLFYVBLTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-4-1-3-8(7-9)12(17)6-2-5-10(18)11(12)19/h1,3-4,7,10,18H,2,5-6,17H2.
What are the key properties of 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
2-amino-6-hydroxy-2-[3-(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 2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139559027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).