1-ethenoxy-1,1,2,2-tetrafluoropropane

C5H6F4O — CID 54144045

IUPAC1-ethenoxy-1,1,2,2-tetrafluoropropane
SMILESC=COC(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F4O/c1-3-10-5(8,9)4(2,6)7/h3H,1H2,2H3
InChIKeyODCKRKNWVHPFJO-UHFFFAOYSA-N
MW158.09 g/mol
LogP2.39
Rot. Bonds3

About 1-ethenoxy-1,1,2,2-tetrafluoropropane

1-ethenoxy-1,1,2,2-tetrafluoropropane (PubChem CID 54144045) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2-tetrafluoropropane
PubChem CID54144045
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name1-ethenoxy-1,1,2,2-tetrafluoropropane
SMILESC=COC(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F4O/c1-3-10-5(8,9)4(2,6)7/h3H,1H2,2H3
InChIKeyODCKRKNWVHPFJO-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-1,1,2,2-tetrafluoropropane 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-1,1,2,2-tetrafluoropropane?
The IUPAC name of 1-ethenoxy-1,1,2,2-tetrafluoropropane (CID 54144045) is 1-ethenoxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 1-ethenoxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 1-ethenoxy-1,1,2,2-tetrafluoropropane is C=COC(F)(F)C(C)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,2-tetrafluoropropane?
The InChIKey is ODCKRKNWVHPFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3-10-5(8,9)4(2,6)7/h3H,1H2,2H3.
What are the key properties of 1-ethenoxy-1,1,2,2-tetrafluoropropane?
1-ethenoxy-1,1,2,2-tetrafluoropropane has a molecular weight of 158.09 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 54144045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).