5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide

C11H12F3NO2 — CID 18712099

IUPAC5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2(C)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H12F3NO2/c1-6-5-7(8(17-6)11(12,13)14)9(16)15-10(2)3-4-10/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyACEYVFGSYIIEKY-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.89
Rot. Bonds2

About 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide

5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 18712099) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID18712099
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2(C)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H12F3NO2/c1-6-5-7(8(17-6)11(12,13)14)9(16)15-10(2)3-4-10/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyACEYVFGSYIIEKY-UHFFFAOYSA-N
XLogP2.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide (CID 18712099) is 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)NC2(C)CC2)c(C(F)(F)F)o1.
What is the InChIKey of 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is ACEYVFGSYIIEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6-5-7(8(17-6)11(12,13)14)9(16)15-10(2)3-4-10/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide?
5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 18712099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).