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

C11H9F4NO — CID 170798409

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H9F4NO/c12-9-6-7(2-1-3-10(16)17)4-5-8(9)11(13,14)15/h1-2,4-6H,3H2,(H2,16,17)
InChIKeyICAOMINQZKERFY-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.73
Rot. Bonds3

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

4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide (PubChem CID 170798409) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide
PubChem CID170798409
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H9F4NO/c12-9-6-7(2-1-3-10(16)17)4-5-8(9)11(13,14)15/h1-2,4-6H,3H2,(H2,16,17)
InChIKeyICAOMINQZKERFY-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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Related Compounds

methyl 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enoate
CID 170501385
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
2-[5-(4-amino-4-oxobut-1-enyl)-2-fluorophenyl]acetic acid
CID 170798417
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484034
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(3,5-difluoro-4-nitrophenyl)but-3-enamide
CID 170798572
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
CID 170798412
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(3-tert-butylphenyl)but-3-enamide
CID 170798133
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide (CID 170798409) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide is NC(=O)CC=Cc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide?
The InChIKey is ICAOMINQZKERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-9-6-7(2-1-3-10(16)17)4-5-8(9)11(13,14)15/h1-2,4-6H,3H2,(H2,16,17).
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide?
4-[3-fluoro-4-(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-4-(trifluoromethyl)phenyl]but-3-enamide is sourced from PubChem (CID 170798409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).