[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate

C9H9F5O4 — CID 59310461

IUPAC[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
SMILESC=CC(=O)OC1COC(OC)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H9F5O4/c1-3-6(15)18-5-4-17-8(16-2,7(5,10)11)9(12,13)14/h3,5H,1,4H2,2H3
InChIKeyROIRSXHFHQEYPX-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.65
Rot. Bonds3

About [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate

[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate (PubChem CID 59310461) has the molecular formula C9H9F5O4 and a molecular weight of 276.16 g/mol. Its IUPAC name is [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
PubChem CID59310461
Molecular FormulaC9H9F5O4
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
SMILESC=CC(=O)OC1COC(OC)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H9F5O4/c1-3-6(15)18-5-4-17-8(16-2,7(5,10)11)9(12,13)14/h3,5H,1,4H2,2H3
InChIKeyROIRSXHFHQEYPX-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate 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 [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate?
The IUPAC name of [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate (CID 59310461) is [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate.
What is the SMILES notation for [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate?
The canonical SMILES for [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate is C=CC(=O)OC1COC(OC)(C(F)(F)F)C1(F)F.
What is the InChIKey of [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate?
The InChIKey is ROIRSXHFHQEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O4/c1-3-6(15)18-5-4-17-8(16-2,7(5,10)11)9(12,13)14/h3,5H,1,4H2,2H3.
What are the key properties of [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate?
[4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate has a molecular weight of 276.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-5-methoxy-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate is sourced from PubChem (CID 59310461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).