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

C9H10F3NO2 — CID 130471257

IUPACN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-7(4-13-6(2)14)8(15-5)9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyDEKQZNUSGOMUSP-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.24
Rot. Bonds2

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

N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide (PubChem CID 130471257) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
PubChem CID130471257
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-7(4-13-6(2)14)8(15-5)9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyDEKQZNUSGOMUSP-UHFFFAOYSA-N
XLogP2.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide (CID 130471257) is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide is CC(=O)NCc1cc(C)oc1C(F)(F)F.
What is the InChIKey of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The InChIKey is DEKQZNUSGOMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-7(4-13-6(2)14)8(15-5)9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide is sourced from PubChem (CID 130471257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).