1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one

C12H14F3NO — CID 67726299

IUPAC1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1C(F)(F)F)N(C)C
InChIInChI=1S/C12H14F3NO/c1-8(17)11(16(2)3)9-6-4-5-7-10(9)12(13,14)15/h4-7,11H,1-3H3
InChIKeyCBVIXOWBZHAAQI-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.90
Rot. Bonds3

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

1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 67726299) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID67726299
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1C(F)(F)F)N(C)C
InChIInChI=1S/C12H14F3NO/c1-8(17)11(16(2)3)9-6-4-5-7-10(9)12(13,14)15/h4-7,11H,1-3H3
InChIKeyCBVIXOWBZHAAQI-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 63687625
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
S-[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 14795411
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 138045786
2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 167745295

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one (CID 67726299) is 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one is CC(=O)C(c1ccccc1C(F)(F)F)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is CBVIXOWBZHAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8(17)11(16(2)3)9-6-4-5-7-10(9)12(13,14)15/h4-7,11H,1-3H3.
What are the key properties of 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one?
1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 245.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 67726299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).