3-fluoro-2,5-bis(trifluoromethyl)benzamide

C9H4F7NO — CID 118998212

IUPAC3-fluoro-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(F)c1C(F)(F)F
InChIInChI=1S/C9H4F7NO/c10-5-2-3(8(11,12)13)1-4(7(17)18)6(5)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyOPYFLCORXYXTSM-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.96
Rot. Bonds1

About 3-fluoro-2,5-bis(trifluoromethyl)benzamide

3-fluoro-2,5-bis(trifluoromethyl)benzamide (PubChem CID 118998212) has the molecular formula C9H4F7NO and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-fluoro-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2,5-bis(trifluoromethyl)benzamide
PubChem CID118998212
Molecular FormulaC9H4F7NO
Molecular Weight275.12 g/mol
Exact Mass275.02
IUPAC Name3-fluoro-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(F)c1C(F)(F)F
InChIInChI=1S/C9H4F7NO/c10-5-2-3(8(11,12)13)1-4(7(17)18)6(5)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyOPYFLCORXYXTSM-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
3-amino-2,5-bis(trifluoromethyl)benzoyl chloride
CID 134624066
2-bromo-3,5-bis(trifluoromethyl)benzamide
CID 134640617
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
2-(1H-azepin-3-yl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 175986457
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
3-cyano-5-fluoro-2-(trifluoromethyl)benzamide
CID 171031115
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-2,5-bis(trifluoromethyl)benzamide (CID 118998212) is 3-fluoro-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-2,5-bis(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is OPYFLCORXYXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F7NO/c10-5-2-3(8(11,12)13)1-4(7(17)18)6(5)9(14,15)16/h1-2H,(H2,17,18).
What are the key properties of 3-fluoro-2,5-bis(trifluoromethyl)benzamide?
3-fluoro-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 275.12 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 118998212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).