2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one

C15H18F3NO2 — CID 169100240

IUPAC2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one
SMILESCNC1(Cc2c(F)cc(F)cc2F)CCCC(C)(O)C1=O
InChIInChI=1S/C15H18F3NO2/c1-14(21)4-3-5-15(19-2,13(14)20)8-10-11(17)6-9(16)7-12(10)18/h6-7,19,21H,3-5,8H2,1-2H3
InChIKeyBZVCMOWELXEMLJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.11
Rot. Bonds3

About 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one

2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one (PubChem CID 169100240) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one
PubChem CID169100240
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one
SMILESCNC1(Cc2c(F)cc(F)cc2F)CCCC(C)(O)C1=O
InChIInChI=1S/C15H18F3NO2/c1-14(21)4-3-5-15(19-2,13(14)20)8-10-11(17)6-9(16)7-12(10)18/h6-7,19,21H,3-5,8H2,1-2H3
InChIKeyBZVCMOWELXEMLJ-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one (CID 169100240) is 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one is CNC1(Cc2c(F)cc(F)cc2F)CCCC(C)(O)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one?
The InChIKey is BZVCMOWELXEMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(21)4-3-5-15(19-2,13(14)20)8-10-11(17)6-9(16)7-12(10)18/h6-7,19,21H,3-5,8H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one?
2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one has a molecular weight of 301.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-6-(methylamino)-6-[(2,4,6-trifluorophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 169100240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).