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

C10H15F3N2O2 — CID 116676773

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O2/c1-7(8-4-14-5-8)9(17)15(2-3-16)6-10(11,12)13/h14,16H,2-6H2,1H3
InChIKeyTYMYTRCOMDWIEF-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.29
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676773) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676773
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O2/c1-7(8-4-14-5-8)9(17)15(2-3-16)6-10(11,12)13/h14,16H,2-6H2,1H3
InChIKeyTYMYTRCOMDWIEF-UHFFFAOYSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.29
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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 116676773) is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CCO)CC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is TYMYTRCOMDWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-7(8-4-14-5-8)9(17)15(2-3-16)6-10(11,12)13/h14,16H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.24 g/mol, XLogP of 0.29, 4 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).