1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone

C10H10F3NO — CID 24826943

IUPAC1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7(15)8-2-4-9(5-3-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyULCWLMRBRBTWGW-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.86
Rot. Bonds3

About 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone

1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone (PubChem CID 24826943) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
PubChem CID24826943
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7(15)8-2-4-9(5-3-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyULCWLMRBRBTWGW-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156701
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
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1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395
1-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]phenyl]ethanone
CID 106248210
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
CID 114468465
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
(4-acetylanilino)methanesulfinic acid
CID 175150534
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone (CID 24826943) is 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone is CC(=O)c1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The InChIKey is ULCWLMRBRBTWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(15)8-2-4-9(5-3-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone?
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone has a molecular weight of 217.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone is sourced from PubChem (CID 24826943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).