(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene

C6H6F2 — CID 102588106

IUPAC(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene
SMILESF/C=C/C=C/C=C/F
InChIInChI=1S/C6H6F2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+
InChIKeyUAMVXXLTNILEAX-CRQXNEITSA-N
MW116.11 g/mol
LogP2.51
Rot. Bonds2

About (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene

(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene (PubChem CID 102588106) has the molecular formula C6H6F2 and a molecular weight of 116.11 g/mol. Its IUPAC name is (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene
PubChem CID102588106
Molecular FormulaC6H6F2
Molecular Weight116.11 g/mol
Exact Mass116.04
IUPAC Name(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene
SMILESF/C=C/C=C/C=C/F
InChIInChI=1S/C6H6F2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+
InChIKeyUAMVXXLTNILEAX-CRQXNEITSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene?
The IUPAC name of (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene (CID 102588106) is (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene.
What is the SMILES notation for (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene?
The canonical SMILES for (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene is F/C=C/C=C/C=C/F.
What is the InChIKey of (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene?
The InChIKey is UAMVXXLTNILEAX-CRQXNEITSA-N. The full InChI is InChI=1S/C6H6F2/c7-5-3-1-2-4-6-8/h1-6H/b2-1+,5-3+,6-4+.
What are the key properties of (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene?
(1E,3E,5E)-1,6-difluorohexa-1,3,5-triene has a molecular weight of 116.11 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1,6-difluorohexa-1,3,5-triene is sourced from PubChem (CID 102588106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).