4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide

C11H9F4NO — CID 170798412

IUPAC4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H9F4NO/c12-8-5-1-3-7(4-2-6-9(16)17)10(8)11(13,14)15/h1-5H,6H2,(H2,16,17)
InChIKeyGGYMDFBQOFSJGF-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.73
Rot. Bonds3

About 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide

4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide (PubChem CID 170798412) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
PubChem CID170798412
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H9F4NO/c12-8-5-1-3-7(4-2-6-9(16)17)10(8)11(13,14)15/h1-5H,6H2,(H2,16,17)
InChIKeyGGYMDFBQOFSJGF-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide?
The IUPAC name of 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide (CID 170798412) is 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide is NC(=O)CC=Cc1cccc(F)c1C(F)(F)F.
What is the InChIKey of 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide?
The InChIKey is GGYMDFBQOFSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-8-5-1-3-7(4-2-6-9(16)17)10(8)11(13,14)15/h1-5H,6H2,(H2,16,17).
What are the key properties of 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide?
4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide has a molecular weight of 247.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide is sourced from PubChem (CID 170798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).