1,1-difluoroocta-1,2-diene

C8H12F2 — CID 23235855

IUPAC1,1-difluoroocta-1,2-diene
SMILESCCCCCC=C=C(F)F
InChIInChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h6H,2-5H2,1H3
InChIKeyCEFUHYJYMPVHLK-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.50
Rot. Bonds4

About 1,1-difluoroocta-1,2-diene

1,1-difluoroocta-1,2-diene (PubChem CID 23235855) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1,1-difluoroocta-1,2-diene.

Molecular Properties

Compound Name1,1-difluoroocta-1,2-diene
PubChem CID23235855
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1,1-difluoroocta-1,2-diene
SMILESCCCCCC=C=C(F)F
InChIInChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h6H,2-5H2,1H3
InChIKeyCEFUHYJYMPVHLK-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroocta-1,2-diene?
The IUPAC name of 1,1-difluoroocta-1,2-diene (CID 23235855) is 1,1-difluoroocta-1,2-diene.
What is the SMILES notation for 1,1-difluoroocta-1,2-diene?
The canonical SMILES for 1,1-difluoroocta-1,2-diene is CCCCCC=C=C(F)F.
What is the InChIKey of 1,1-difluoroocta-1,2-diene?
The InChIKey is CEFUHYJYMPVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h6H,2-5H2,1H3.
What are the key properties of 1,1-difluoroocta-1,2-diene?
1,1-difluoroocta-1,2-diene has a molecular weight of 146.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroocta-1,2-diene is sourced from PubChem (CID 23235855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).