2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane

C7H9F3O2 — CID 151124201

IUPAC2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane
SMILESCC=COCC1C(F)OC1(F)F
InChIInChI=1S/C7H9F3O2/c1-2-3-11-4-5-6(8)12-7(5,9)10/h2-3,5-6H,4H2,1H3
InChIKeyMSVMBKWBBYHYDX-UHFFFAOYSA-N
MW182.14 g/mol
LogP2.07
Rot. Bonds3

About 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane

2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane (PubChem CID 151124201) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane.

Molecular Properties

Compound Name2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane
PubChem CID151124201
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane
SMILESCC=COCC1C(F)OC1(F)F
InChIInChI=1S/C7H9F3O2/c1-2-3-11-4-5-6(8)12-7(5,9)10/h2-3,5-6H,4H2,1H3
InChIKeyMSVMBKWBBYHYDX-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-Trifluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 149621071
2,2-Difluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 150963075
2,2-Difluoro-3-(prop-1-enoxymethyl)oxetane
CID 151448971
2,2,4,4-Tetrafluoro-3-(prop-1-enoxymethyl)oxetane
CID 151493671
3-(But-1-enoxymethyl)-2,2-difluorooxetane
CID 150418710
3-(Prop-1-enoxymethyl)oxetane
CID 150988666
3-[[(E)-prop-1-enoxy]methyl]oxetane
CID 176604949

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane?
The IUPAC name of 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane (CID 151124201) is 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane.
What is the SMILES notation for 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane?
The canonical SMILES for 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane is CC=COCC1C(F)OC1(F)F.
What is the InChIKey of 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane?
The InChIKey is MSVMBKWBBYHYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-2-3-11-4-5-6(8)12-7(5,9)10/h2-3,5-6H,4H2,1H3.
What are the key properties of 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane?
2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane has a molecular weight of 182.14 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-3-(prop-1-enoxymethyl)oxetane is sourced from PubChem (CID 151124201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).