2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H8ClF6NO2 — CID 13384299

IUPAC2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC(=O)C(OCc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO2/c12-7-3-1-6(2-4-7)5-21-9(8(19)20,10(13,14)15)11(16,17)18/h1-4H,5H2,(H2,19,20)
InChIKeyDXLOGRBNCHLTKY-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.21
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 13384299) has the molecular formula C11H8ClF6NO2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID13384299
Molecular FormulaC11H8ClF6NO2
Molecular Weight335.63 g/mol
Exact Mass335.01
IUPAC Name2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC(=O)C(OCc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO2/c12-7-3-1-6(2-4-7)5-21-9(8(19)20,10(13,14)15)11(16,17)18/h1-4H,5H2,(H2,19,20)
InChIKeyDXLOGRBNCHLTKY-UHFFFAOYSA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
CID 154165073
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
2-(4-chlorophenyl)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91715952
(4-chlorophenyl)methyl 2-(trifluoromethyl)oxirane-2-carboxylate
CID 91327408
2,6-diamino-2-[(4-chlorophenyl)methoxy]hexanoic acid
CID 18940369
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
CID 68714535
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 13384299) is 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NC(=O)C(OCc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is DXLOGRBNCHLTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF6NO2/c12-7-3-1-6(2-4-7)5-21-9(8(19)20,10(13,14)15)11(16,17)18/h1-4H,5H2,(H2,19,20).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 335.63 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 13384299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).