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

C10H12F3NO2 — CID 130471318

IUPACN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-3-8(15)14-5-7-4-6(2)16-9(7)10(11,12)13/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyLWKWLULFIZDUJI-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.63
Rot. Bonds3

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

N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (PubChem CID 130471318) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
PubChem CID130471318
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-3-8(15)14-5-7-4-6(2)16-9(7)10(11,12)13/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyLWKWLULFIZDUJI-UHFFFAOYSA-N
XLogP2.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (CID 130471318) is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The canonical SMILES for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide is CCC(=O)NCc1cc(C)oc1C(F)(F)F.
What is the InChIKey of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The InChIKey is LWKWLULFIZDUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-3-8(15)14-5-7-4-6(2)16-9(7)10(11,12)13/h4H,3,5H2,1-2H3,(H,14,15).
What are the key properties of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide has a molecular weight of 235.20 g/mol, XLogP of 2.63, 3 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]propanamide is sourced from PubChem (CID 130471318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).