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

C10H16F2N2O2 — CID 107479340

IUPAC2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)=C1CNC1
InChIInChI=1S/C10H16F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h9,13,15H,2-6H2,1H3
InChIKeyNNGZBTRXAHEKDC-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.01
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107479340) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107479340
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)F)=C1CNC1
InChIInChI=1S/C10H16F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h9,13,15H,2-6H2,1H3
InChIKeyNNGZBTRXAHEKDC-UHFFFAOYSA-N
XLogP-0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107479340) is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is CC(C(=O)N(CCO)CC(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is NNGZBTRXAHEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-7(8-4-13-5-8)10(16)14(2-3-15)6-9(11)12/h9,13,15H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 234.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107479340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).