2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C10H12F3NO2 — CID 134025228

IUPAC2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H12F3NO2/c1-5-6(2)16-7(3)8(5)9(15)14-4-10(11,12)13/h4H2,1-3H3,(H,14,15)
InChIKeyZFPHOWWMCHHGFV-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.50
Rot. Bonds2

About 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 134025228) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID134025228
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H12F3NO2/c1-5-6(2)16-7(3)8(5)9(15)14-4-10(11,12)13/h4H2,1-3H3,(H,14,15)
InChIKeyZFPHOWWMCHHGFV-UHFFFAOYSA-N
XLogP2.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 134025228) is 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)NCC(F)(F)F)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is ZFPHOWWMCHHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-5-6(2)16-7(3)8(5)9(15)14-4-10(11,12)13/h4H2,1-3H3,(H,14,15).
What are the key properties of 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 134025228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).