N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C9H4ClF6NO — CID 2990542

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4ClF6NO/c10-4-1-2-6(5(3-4)8(11,12)13)17-7(18)9(14,15)16/h1-3H,(H,17,18)
InChIKeyWJSWYBJLIQQADD-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.86
Rot. Bonds1

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2990542) has the molecular formula C9H4ClF6NO and a molecular weight of 291.58 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID2990542
Molecular FormulaC9H4ClF6NO
Molecular Weight291.58 g/mol
Exact Mass290.99
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4ClF6NO/c10-4-1-2-6(5(3-4)8(11,12)13)17-7(18)9(14,15)16/h1-3H,(H,17,18)
InChIKeyWJSWYBJLIQQADD-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
8-chloroquinolin-2(1H)-one
CID 4204917
Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
CID 258549
N-(4-chloro-2-(trifluoromethyl)phenyl)-2-propoxy-acetamide
CID 15708953
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
N-(2-chloro-4-(trifluoromethyl)phenyl)acetamide
CID 2736671
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
Fasentin
CID 879520
Acetamide, N-(4-chloro-2-methylphenyl)-2-(hydroxyimino)-
CID 9580351
N-(2,4-Dichloro-6-methylphenyl)acetamide
CID 297912
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 2990542) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is WJSWYBJLIQQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF6NO/c10-4-1-2-6(5(3-4)8(11,12)13)17-7(18)9(14,15)16/h1-3H,(H,17,18).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 291.58 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2990542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).