2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide

C11H12F3NO2 — CID 166726434

IUPAC2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4H,1,5H2,2-3H3,(H,15,16)
InChIKeyJRLVLIXIYAFQEN-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide

2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide (PubChem CID 166726434) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide
PubChem CID166726434
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4H,1,5H2,2-3H3,(H,15,16)
InChIKeyJRLVLIXIYAFQEN-UHFFFAOYSA-N
XLogP2.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide (CID 166726434) is 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide is C=C(C)C(=O)NCc1cc(C)oc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide?
The InChIKey is JRLVLIXIYAFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4H,1,5H2,2-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide?
2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide has a molecular weight of 247.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 166726434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).