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

C9H4F7NO2 — CID 88921988

IUPAC2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1F)C(F)(F)F
InChIInChI=1S/C9H4F7NO2/c10-6-4(17-7(18)8(11,12)13)2-1-3-5(6)19-9(14,15)16/h1-3H,(H,17,18)
InChIKeyGFZGOCYGLYNMPC-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.23
Rot. Bonds2

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

2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 88921988) has the molecular formula C9H4F7NO2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
PubChem CID88921988
Molecular FormulaC9H4F7NO2
Molecular Weight291.12 g/mol
Exact Mass291.01
IUPAC Name2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1F)C(F)(F)F
InChIInChI=1S/C9H4F7NO2/c10-6-4(17-7(18)8(11,12)13)2-1-3-5(6)19-9(14,15)16/h1-3H,(H,17,18)
InChIKeyGFZGOCYGLYNMPC-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
2-(3-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 24525372
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide (CID 88921988) is 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide is O=C(Nc1cccc(OC(F)(F)F)c1F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GFZGOCYGLYNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F7NO2/c10-6-4(17-7(18)8(11,12)13)2-1-3-5(6)19-9(14,15)16/h1-3H,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide?
2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 291.12 g/mol, XLogP of 3.23, 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-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 88921988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).