2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one

C12H14F3NO — CID 116566489

IUPAC2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCNC(C)(C)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,16-3)10(17)8-6-4-5-7-9(8)12(13,14)15/h4-7,16H,1-3H3
InChIKeyYCRPWVXWFIYCRJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one

2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 116566489) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID116566489
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCNC(C)(C)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,16-3)10(17)8-6-4-5-7-9(8)12(13,14)15/h4-7,16H,1-3H3
InChIKeyYCRPWVXWFIYCRJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
methyl 2-(trifluoromethyl)benzoate
CID 2775578
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566286
potassium 2-(trifluoromethyl)benzoate
CID 162538888
2-(1,1-difluoroethyl)-N-methylbenzamide
CID 162577291
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 159696978

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one (CID 116566489) is 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one is CNC(C)(C)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is YCRPWVXWFIYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(2,16-3)10(17)8-6-4-5-7-9(8)12(13,14)15/h4-7,16H,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one?
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 245.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 116566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).