3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide

C11H6Cl3F6NO — CID 71672117

IUPAC3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6Cl3F6NO/c1-9(10(15,16)17,11(18,19)20)8(22)21-7-5(13)2-4(12)3-6(7)14/h2-3H,1H3,(H,21,22)
InChIKeyLLWNTGSTBJXLEB-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.72
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide (PubChem CID 71672117) has the molecular formula C11H6Cl3F6NO and a molecular weight of 388.52 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
PubChem CID71672117
Molecular FormulaC11H6Cl3F6NO
Molecular Weight388.52 g/mol
Exact Mass386.94
IUPAC Name3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6Cl3F6NO/c1-9(10(15,16)17,11(18,19)20)8(22)21-7-5(13)2-4(12)3-6(7)14/h2-3H,1H3,(H,21,22)
InChIKeyLLWNTGSTBJXLEB-UHFFFAOYSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide (CID 71672117) is 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide is CC(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The InChIKey is LLWNTGSTBJXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3F6NO/c1-9(10(15,16)17,11(18,19)20)8(22)21-7-5(13)2-4(12)3-6(7)14/h2-3H,1H3,(H,21,22).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide has a molecular weight of 388.52 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).