1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one

C12H11F6NO — CID 116588598

IUPAC1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(CNCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F6NO/c13-11(14,15)7-19-6-10(20)5-8-1-3-9(4-2-8)12(16,17)18/h1-4,19H,5-7H2
InChIKeyCZVQXNZNNMZDMN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 116588598) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID116588598
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC Name1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(CNCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F6NO/c13-11(14,15)7-19-6-10(20)5-8-1-3-9(4-2-8)12(16,17)18/h1-4,19H,5-7H2
InChIKeyCZVQXNZNNMZDMN-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
4,5,5-trimethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-one
CID 63833110
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
1-propylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 65129885
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 114965023
1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 114967719
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 116588598) is 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one is O=C(CNCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is CZVQXNZNNMZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO/c13-11(14,15)7-19-6-10(20)5-8-1-3-9(4-2-8)12(16,17)18/h1-4,19H,5-7H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 299.21 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 116588598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).