1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one

C16H14F3NO — CID 116551173

IUPAC1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNC(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)13-8-4-5-11(9-13)10-14(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10,20H2
InChIKeyWFDBKRZCPFMUCO-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.52
Rot. Bonds4

About 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 116551173) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID116551173
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNC(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)13-8-4-5-11(9-13)10-14(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10,20H2
InChIKeyWFDBKRZCPFMUCO-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8798590
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 116551173) is 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one is NC(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is WFDBKRZCPFMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)13-8-4-5-11(9-13)10-14(21)15(20)12-6-2-1-3-7-12/h1-9,15H,10,20H2.
What are the key properties of 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 293.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 116551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).