2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide

C8H12F2N2O — CID 116678637

IUPAC2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)F)=C1CNC1
InChIInChI=1S/C8H12F2N2O/c1-5(6-2-11-3-6)8(13)12-4-7(9)10/h7,11H,2-4H2,1H3,(H,12,13)
InChIKeyGNJWVYRHINZGKX-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.29
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide

2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide (PubChem CID 116678637) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
PubChem CID116678637
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)F)=C1CNC1
InChIInChI=1S/C8H12F2N2O/c1-5(6-2-11-3-6)8(13)12-4-7(9)10/h7,11H,2-4H2,1H3,(H,12,13)
InChIKeyGNJWVYRHINZGKX-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide (CID 116678637) is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide is CC(C(=O)NCC(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide?
The InChIKey is GNJWVYRHINZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(6-2-11-3-6)8(13)12-4-7(9)10/h7,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide has a molecular weight of 190.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide is sourced from PubChem (CID 116678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).