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

C10H3Cl4F6NO — CID 71672617

IUPAC2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3Cl4F6NO/c11-3-1-4(12)6(5(13)2-3)21-7(22)8(14,9(15,16)17)10(18,19)20/h1-2H,(H,21,22)
InChIKeyXQYCFORFLBSFTA-UHFFFAOYSA-N
MW408.94 g/mol
LogP5.69
Rot. Bonds2

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

2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide (PubChem CID 71672617) has the molecular formula C10H3Cl4F6NO and a molecular weight of 408.94 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
PubChem CID71672617
Molecular FormulaC10H3Cl4F6NO
Molecular Weight408.94 g/mol
Exact Mass406.89
IUPAC Name2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3Cl4F6NO/c11-3-1-4(12)6(5(13)2-3)21-7(22)8(14,9(15,16)17)10(18,19)20/h1-2H,(H,21,22)
InChIKeyXQYCFORFLBSFTA-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.94
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510
2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide
CID 71672760
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 71672259
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide
CID 163413511
5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
CID 163154723
methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide (CID 71672617) is 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
The InChIKey is XQYCFORFLBSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl4F6NO/c11-3-1-4(12)6(5(13)2-3)21-7(22)8(14,9(15,16)17)10(18,19)20/h1-2H,(H,21,22).
What are the key properties of 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide has a molecular weight of 408.94 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).