N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide

C9H7F3N2O2 — CID 684229

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1oc(NC(=O)C(F)(F)F)c(C#N)c1C
InChIInChI=1S/C9H7F3N2O2/c1-4-5(2)16-7(6(4)3-13)14-8(15)9(10,11)12/h1-2H3,(H,14,15)
InChIKeyTWAKMSIURBHVEB-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.27
Rot. Bonds1

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 684229) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide
PubChem CID684229
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1oc(NC(=O)C(F)(F)F)c(C#N)c1C
InChIInChI=1S/C9H7F3N2O2/c1-4-5(2)16-7(6(4)3-13)14-8(15)9(10,11)12/h1-2H3,(H,14,15)
InChIKeyTWAKMSIURBHVEB-UHFFFAOYSA-N
XLogP2.27
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide (CID 684229) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide is Cc1oc(NC(=O)C(F)(F)F)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is TWAKMSIURBHVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-4-5(2)16-7(6(4)3-13)14-8(15)9(10,11)12/h1-2H3,(H,14,15).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 232.16 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 684229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).