2,6-bis(1-fluoroprop-2-enyl)oxane

C11H16F2O — CID 70392083

IUPAC2,6-bis(1-fluoroprop-2-enyl)oxane
SMILESC=CC(F)C1CCCC(C(F)C=C)O1
InChIInChI=1S/C11H16F2O/c1-3-8(12)10-6-5-7-11(14-10)9(13)4-2/h3-4,8-11H,1-2,5-7H2
InChIKeyCALKFNMTORBPMP-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.97
Rot. Bonds4

About 2,6-bis(1-fluoroprop-2-enyl)oxane

2,6-bis(1-fluoroprop-2-enyl)oxane (PubChem CID 70392083) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,6-bis(1-fluoroprop-2-enyl)oxane.

Molecular Properties

Compound Name2,6-bis(1-fluoroprop-2-enyl)oxane
PubChem CID70392083
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2,6-bis(1-fluoroprop-2-enyl)oxane
SMILESC=CC(F)C1CCCC(C(F)C=C)O1
InChIInChI=1S/C11H16F2O/c1-3-8(12)10-6-5-7-11(14-10)9(13)4-2/h3-4,8-11H,1-2,5-7H2
InChIKeyCALKFNMTORBPMP-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-bis(1-fluoroprop-2-enyl)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 2,6-bis(1-fluoroprop-2-enyl)oxane?
The IUPAC name of 2,6-bis(1-fluoroprop-2-enyl)oxane (CID 70392083) is 2,6-bis(1-fluoroprop-2-enyl)oxane.
What is the SMILES notation for 2,6-bis(1-fluoroprop-2-enyl)oxane?
The canonical SMILES for 2,6-bis(1-fluoroprop-2-enyl)oxane is C=CC(F)C1CCCC(C(F)C=C)O1.
What is the InChIKey of 2,6-bis(1-fluoroprop-2-enyl)oxane?
The InChIKey is CALKFNMTORBPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-3-8(12)10-6-5-7-11(14-10)9(13)4-2/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 2,6-bis(1-fluoroprop-2-enyl)oxane?
2,6-bis(1-fluoroprop-2-enyl)oxane has a molecular weight of 202.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-fluoroprop-2-enyl)oxane is sourced from PubChem (CID 70392083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).