2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide

C9H5F6NO2 — CID 62489908

IUPAC2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)7(17)16-5-2-1-3-6(4-5)18-9(13,14)15/h1-4H,(H,16,17)
InChIKeyUJMVNWHSJCNQMI-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.09
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide

2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 62489908) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID62489908
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)7(17)16-5-2-1-3-6(4-5)18-9(13,14)15/h1-4H,(H,16,17)
InChIKeyUJMVNWHSJCNQMI-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 62489908) is 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Nc1cccc(OC(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UJMVNWHSJCNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-8(11,12)7(17)16-5-2-1-3-6(4-5)18-9(13,14)15/h1-4H,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 273.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 62489908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).