(5E)-7,7-difluorohepta-1,5-diene

C7H10F2 — CID 5463560

IUPAC(5E)-7,7-difluorohepta-1,5-diene
SMILESC=CCC/C=C/C(F)F
InChIInChI=1S/C7H10F2/c1-2-3-4-5-6-7(8)9/h2,5-7H,1,3-4H2/b6-5+
InChIKeyMIJUABDAXIPPLR-AATRIKPKSA-N
MW132.15 g/mol
LogP2.77
Rot. Bonds4

About (5E)-7,7-difluorohepta-1,5-diene

(5E)-7,7-difluorohepta-1,5-diene (PubChem CID 5463560) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is (5E)-7,7-difluorohepta-1,5-diene.

Molecular Properties

Compound Name(5E)-7,7-difluorohepta-1,5-diene
PubChem CID5463560
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name(5E)-7,7-difluorohepta-1,5-diene
SMILESC=CCC/C=C/C(F)F
InChIInChI=1S/C7H10F2/c1-2-3-4-5-6-7(8)9/h2,5-7H,1,3-4H2/b6-5+
InChIKeyMIJUABDAXIPPLR-AATRIKPKSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-7,7-difluorohepta-1,5-diene?
The IUPAC name of (5E)-7,7-difluorohepta-1,5-diene (CID 5463560) is (5E)-7,7-difluorohepta-1,5-diene.
What is the SMILES notation for (5E)-7,7-difluorohepta-1,5-diene?
The canonical SMILES for (5E)-7,7-difluorohepta-1,5-diene is C=CCC/C=C/C(F)F.
What is the InChIKey of (5E)-7,7-difluorohepta-1,5-diene?
The InChIKey is MIJUABDAXIPPLR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10F2/c1-2-3-4-5-6-7(8)9/h2,5-7H,1,3-4H2/b6-5+.
What are the key properties of (5E)-7,7-difluorohepta-1,5-diene?
(5E)-7,7-difluorohepta-1,5-diene has a molecular weight of 132.15 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7,7-difluorohepta-1,5-diene is sourced from PubChem (CID 5463560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).