3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one

C12H13F4NO — CID 107288258

IUPAC3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c1-17(2)6-5-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,5-6H2,1-2H3
InChIKeyRFBHKRKPCQLSJA-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.98
Rot. Bonds4

About 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one

3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 107288258) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID107288258
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c1-17(2)6-5-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,5-6H2,1-2H3
InChIKeyRFBHKRKPCQLSJA-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-1-one
CID 107290977
methyl 5-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxopentanoate
CID 146008716
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
N-(2-chloroethyl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63391762
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one (CID 107288258) is 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one is CN(C)CCC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is RFBHKRKPCQLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-17(2)6-5-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one?
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 263.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 107288258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).