2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C8H9F3N2O2 — CID 153496566

IUPAC2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H9F3N2O2/c1-2-6(14)13-3-5(4-13)12-7(15)8(9,10)11/h2,5H,1,3-4H2,(H,12,15)
InChIKeyGPLFJTAMWTYSJK-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.06
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 153496566) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID153496566
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H9F3N2O2/c1-2-6(14)13-3-5(4-13)12-7(15)8(9,10)11/h2,5H,1,3-4H2,(H,12,15)
InChIKeyGPLFJTAMWTYSJK-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
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 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 153496566) is 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is GPLFJTAMWTYSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-6(14)13-3-5(4-13)12-7(15)8(9,10)11/h2,5H,1,3-4H2,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 222.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 153496566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).