2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one

C13H14F3NO3 — CID 155757621

IUPAC2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESNC1(c2ccc(OC(F)(F)F)cc2)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2
InChIKeyTWUQPSXHRFKROG-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one

2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one (PubChem CID 155757621) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
PubChem CID155757621
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESNC1(c2ccc(OC(F)(F)F)cc2)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2
InChIKeyTWUQPSXHRFKROG-UHFFFAOYSA-N
XLogP1.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(2S,6S)-2-amino-6-hydroxy-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139559053
2-amino-2-[3-chloro-5-(trifluoromethoxy)phenyl]-6-hydroxycyclohexan-1-one
CID 139559138
2-amino-6-hydroxy-2-phenylcyclohexan-1-one
CID 166722328
2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one;hydrochloride
CID 139559114
2-amino-2-[2-fluoro-3-(trifluoromethoxy)phenyl]-6-hydroxycyclohexan-1-one;methanesulfonic acid
CID 139559032
2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
CID 153349122
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
2-[4-chloro-3-(trifluoromethoxy)phenyl]-6-hydroxy-2-methylcyclohexan-1-one
CID 161124097
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345
2-amino-2-(3-chloro-5-methylphenyl)-6-hydroxycyclohexan-1-one
CID 158156319
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
trans-(2R,6S)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one;hydrochloride
CID 169441930

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one (CID 155757621) is 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one is NC1(c2ccc(OC(F)(F)F)cc2)CCCC(O)C1=O.
What is the InChIKey of 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The InChIKey is TWUQPSXHRFKROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)12(17)7-1-2-10(18)11(12)19/h3-6,10,18H,1-2,7,17H2.
What are the key properties of 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one?
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one has a molecular weight of 289.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 155757621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).