3-(but-1-enoxymethyl)-2,2-difluorooxetane

C8H12F2O2 — CID 150418710

IUPAC3-(but-1-enoxymethyl)-2,2-difluorooxetane
SMILESCCC=COCC1COC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-3-4-11-5-7-6-12-8(7,9)10/h3-4,7H,2,5-6H2,1H3
InChIKeyHHHZPQCPCZEPLR-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.17
Rot. Bonds4

About 3-(but-1-enoxymethyl)-2,2-difluorooxetane

3-(but-1-enoxymethyl)-2,2-difluorooxetane (PubChem CID 150418710) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 3-(but-1-enoxymethyl)-2,2-difluorooxetane.

Molecular Properties

Compound Name3-(but-1-enoxymethyl)-2,2-difluorooxetane
PubChem CID150418710
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name3-(but-1-enoxymethyl)-2,2-difluorooxetane
SMILESCCC=COCC1COC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-3-4-11-5-7-6-12-8(7,9)10/h3-4,7H,2,5-6H2,1H3
InChIKeyHHHZPQCPCZEPLR-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-Trifluoro-3-(prop-1-enoxymethyl)oxetane
CID 151124201
2,2-Difluoro-3-(prop-1-enoxymethyl)oxetane
CID 151448971
2,2,4,4-Tetrafluoro-3-(prop-1-enoxymethyl)oxetane
CID 151493671

Frequently Asked Questions

What is the IUPAC name of 3-(but-1-enoxymethyl)-2,2-difluorooxetane?
The IUPAC name of 3-(but-1-enoxymethyl)-2,2-difluorooxetane (CID 150418710) is 3-(but-1-enoxymethyl)-2,2-difluorooxetane.
What is the SMILES notation for 3-(but-1-enoxymethyl)-2,2-difluorooxetane?
The canonical SMILES for 3-(but-1-enoxymethyl)-2,2-difluorooxetane is CCC=COCC1COC1(F)F.
What is the InChIKey of 3-(but-1-enoxymethyl)-2,2-difluorooxetane?
The InChIKey is HHHZPQCPCZEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-3-4-11-5-7-6-12-8(7,9)10/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-(but-1-enoxymethyl)-2,2-difluorooxetane?
3-(but-1-enoxymethyl)-2,2-difluorooxetane has a molecular weight of 178.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-1-enoxymethyl)-2,2-difluorooxetane is sourced from PubChem (CID 150418710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).