(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide

C8H13F2NO2 — CID 103082573

IUPAC(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-8(12)11-4-5-13-6-7(9)10/h2-3,7H,4-6H2,1H3,(H,11,12)/b3-2+
InChIKeyRSFRXWTZFXSCAT-NSCUHMNNSA-N
MW193.19 g/mol
LogP0.96
Rot. Bonds6

About (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide

(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide (PubChem CID 103082573) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide
PubChem CID103082573
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-8(12)11-4-5-13-6-7(9)10/h2-3,7H,4-6H2,1H3,(H,11,12)/b3-2+
InChIKeyRSFRXWTZFXSCAT-NSCUHMNNSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide 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 (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide (CID 103082573) is (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide is C/C=C/C(=O)NCCOCC(F)F.
What is the InChIKey of (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide?
The InChIKey is RSFRXWTZFXSCAT-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-3-8(12)11-4-5-13-6-7(9)10/h2-3,7H,4-6H2,1H3,(H,11,12)/b3-2+.
What are the key properties of (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide?
(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide has a molecular weight of 193.19 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide is sourced from PubChem (CID 103082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).