2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide

C9H5F6NO — CID 589514

IUPAC2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKeyNAQZKEOLDQOSEN-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.21
Rot. Bonds1

About 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 589514) has the molecular formula C9H5F6NO and a molecular weight of 257.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID589514
Molecular FormulaC9H5F6NO
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC Name2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKeyNAQZKEOLDQOSEN-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxyquinoline
CID 6038
Teriflunomide
CID 54684141
N-(3-Methylphenyl)acetamide
CID 10843
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
N-Acetyl-4-aminobiphenyl
CID 19998
(3-Trifluoromethylphenyl)urea
CID 25712
N-(2,4-Dimethylphenyl)acetamide
CID 16303
Acetylbenzidine
CID 18787
O-Ethylacetanilide
CID 36332
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
CID 54677977

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide (CID 589514) is 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NAQZKEOLDQOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO/c10-8(11,12)5-1-3-6(4-2-5)16-7(17)9(13,14)15/h1-4H,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 257.13 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).