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

C13H14F3NO2 — CID 139559001

IUPAC2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2ccccc2C(F)(F)F)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-5-2-1-4-8(9)12(17)7-3-6-10(18)11(12)19/h1-2,4-5,10,18H,3,6-7,17H2
InChIKeyBWSPMTHQFGJNTN-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.97
Rot. Bonds1

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

2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 139559001) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID139559001
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2ccccc2C(F)(F)F)CCCC(O)C1=O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-5-2-1-4-8(9)12(17)7-3-6-10(18)11(12)19/h1-2,4-5,10,18H,3,6-7,17H2
InChIKeyBWSPMTHQFGJNTN-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 139559001) is 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one is NC1(c2ccccc2C(F)(F)F)CCCC(O)C1=O.
What is the InChIKey of 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is BWSPMTHQFGJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-5-2-1-4-8(9)12(17)7-3-6-10(18)11(12)19/h1-2,4-5,10,18H,3,6-7,17H2.
What are the key properties of 2-amino-6-hydroxy-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-one?
2-amino-6-hydroxy-2-[2-(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-[2-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139559001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).