4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide

C11H10F3NO — CID 141454955

IUPAC4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
SMILESCC(=C(C(N)=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7(11(12,13)14)9(10(15)16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,15,16)
InChIKeyGXVJHBCYXSVJLO-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.51
Rot. Bonds2

About 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide

4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide (PubChem CID 141454955) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
PubChem CID141454955
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
SMILESCC(=C(C(N)=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7(11(12,13)14)9(10(15)16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,15,16)
InChIKeyGXVJHBCYXSVJLO-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-phenylbut-2-enediamide
CID 71247026
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
benzamide;trifluoro(methylsulfanyl)methane
CID 167473170
benzoic acid;methanamine
CID 158244769
(E)-2,3-diphenyl-3-[(2,2,2-trifluoroacetyl)amino]prop-2-enoic acid
CID 88513745
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
3-hydroxy-4-phenylhex-3-ene-2,5-dione
CID 76816910
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
acetyl chloride;benzamide
CID 160666659
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide (CID 141454955) is 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide is CC(=C(C(N)=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide?
The InChIKey is GXVJHBCYXSVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7(11(12,13)14)9(10(15)16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,15,16).
What are the key properties of 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide?
4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide has a molecular weight of 229.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide is sourced from PubChem (CID 141454955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).