1-ethenoxy-2,2,3-trifluoropropane

C5H7F3O — CID 20793127

IUPAC1-ethenoxy-2,2,3-trifluoropropane
SMILESC=COCC(F)(F)CF
InChIInChI=1S/C5H7F3O/c1-2-9-4-5(7,8)3-6/h2H,1,3-4H2
InChIKeyURYFWOLXLVBZOT-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.75
Rot. Bonds4

About 1-ethenoxy-2,2,3-trifluoropropane

1-ethenoxy-2,2,3-trifluoropropane (PubChem CID 20793127) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 1-ethenoxy-2,2,3-trifluoropropane.

Molecular Properties

Compound Name1-ethenoxy-2,2,3-trifluoropropane
PubChem CID20793127
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name1-ethenoxy-2,2,3-trifluoropropane
SMILESC=COCC(F)(F)CF
InChIInChI=1S/C5H7F3O/c1-2-9-4-5(7,8)3-6/h2H,1,3-4H2
InChIKeyURYFWOLXLVBZOT-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethenoxy-2,2,3-trifluoropropane 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 1-ethenoxy-2,2,3-trifluoropropane?
The IUPAC name of 1-ethenoxy-2,2,3-trifluoropropane (CID 20793127) is 1-ethenoxy-2,2,3-trifluoropropane.
What is the SMILES notation for 1-ethenoxy-2,2,3-trifluoropropane?
The canonical SMILES for 1-ethenoxy-2,2,3-trifluoropropane is C=COCC(F)(F)CF.
What is the InChIKey of 1-ethenoxy-2,2,3-trifluoropropane?
The InChIKey is URYFWOLXLVBZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-9-4-5(7,8)3-6/h2H,1,3-4H2.
What are the key properties of 1-ethenoxy-2,2,3-trifluoropropane?
1-ethenoxy-2,2,3-trifluoropropane has a molecular weight of 140.10 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2,3-trifluoropropane is sourced from PubChem (CID 20793127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).