2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane

C15H20F2O2 — CID 89262489

IUPAC2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane
SMILESC=CCC1(CCCC2=CC(F)CC(F)=C2)OCCO1
InChIInChI=1S/C15H20F2O2/c1-2-5-15(18-7-8-19-15)6-3-4-12-9-13(16)11-14(17)10-12/h2,9-10,13H,1,3-8,11H2
InChIKeyRANUEHJVULKQKI-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.00
Rot. Bonds6

About 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane

2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane (PubChem CID 89262489) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane
PubChem CID89262489
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane
SMILESC=CCC1(CCCC2=CC(F)CC(F)=C2)OCCO1
InChIInChI=1S/C15H20F2O2/c1-2-5-15(18-7-8-19-15)6-3-4-12-9-13(16)11-14(17)10-12/h2,9-10,13H,1,3-8,11H2
InChIKeyRANUEHJVULKQKI-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane 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 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane?
The IUPAC name of 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane (CID 89262489) is 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane?
The canonical SMILES for 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane is C=CCC1(CCCC2=CC(F)CC(F)=C2)OCCO1.
What is the InChIKey of 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane?
The InChIKey is RANUEHJVULKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-2-5-15(18-7-8-19-15)6-3-4-12-9-13(16)11-14(17)10-12/h2,9-10,13H,1,3-8,11H2.
What are the key properties of 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane?
2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane has a molecular weight of 270.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane is sourced from PubChem (CID 89262489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).