2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane

C12H20F2O2 — CID 19966818

IUPAC2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane
SMILESC=CCC(F)(F)C(C)(C)OC1CCCCO1
InChIInChI=1S/C12H20F2O2/c1-4-8-12(13,14)11(2,3)16-10-7-5-6-9-15-10/h4,10H,1,5-9H2,2-3H3
InChIKeyJNLBAEHCBXUZBA-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.52
Rot. Bonds5

About 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane

2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane (PubChem CID 19966818) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane.

Molecular Properties

Compound Name2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane
PubChem CID19966818
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane
SMILESC=CCC(F)(F)C(C)(C)OC1CCCCO1
InChIInChI=1S/C12H20F2O2/c1-4-8-12(13,14)11(2,3)16-10-7-5-6-9-15-10/h4,10H,1,5-9H2,2-3H3
InChIKeyJNLBAEHCBXUZBA-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane 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-difluoro-2-methylhex-5-en-2-yl)oxyoxane?
The IUPAC name of 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane (CID 19966818) is 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane.
What is the SMILES notation for 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane?
The canonical SMILES for 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane is C=CCC(F)(F)C(C)(C)OC1CCCCO1.
What is the InChIKey of 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane?
The InChIKey is JNLBAEHCBXUZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-4-8-12(13,14)11(2,3)16-10-7-5-6-9-15-10/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane?
2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane has a molecular weight of 234.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-2-methylhex-5-en-2-yl)oxyoxane is sourced from PubChem (CID 19966818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).