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

C11H14F3NO2 — CID 153445896

IUPAC2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C11H14F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16)
InChIKeyDPIVENMTUIHXOH-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.88
Rot. Bonds3

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

2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (PubChem CID 153445896) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
PubChem CID153445896
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C11H14F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16)
InChIKeyDPIVENMTUIHXOH-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (CID 153445896) is 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide is Cc1cc(CNC(=O)C(C)C)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The InChIKey is DPIVENMTUIHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-6(2)10(16)15-5-8-4-7(3)17-9(8)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
2-methyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide has a molecular weight of 249.23 g/mol, XLogP of 2.88, 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]propanamide is sourced from PubChem (CID 153445896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).