5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

C13H19FO — CID 57177125

IUPAC5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESC=CC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C13H19FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h2,6,10-11,13H,1,3-5,7-9H2
InChIKeyRCECTBMISQUHCM-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.62
Rot. Bonds2

About 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (PubChem CID 57177125) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.

Molecular Properties

Compound Name5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
PubChem CID57177125
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESC=CC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C13H19FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h2,6,10-11,13H,1,3-5,7-9H2
InChIKeyRCECTBMISQUHCM-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane 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 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The IUPAC name of 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (CID 57177125) is 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.
What is the SMILES notation for 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The canonical SMILES for 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is C=CC1CCC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The InChIKey is RCECTBMISQUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h2,6,10-11,13H,1,3-5,7-9H2.
What are the key properties of 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane has a molecular weight of 210.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is sourced from PubChem (CID 57177125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).