1,1-difluorohexa-1,5-diene

C6H8F2 — CID 13495442

IUPAC1,1-difluorohexa-1,5-diene
SMILESC=CCCC=C(F)F
InChIInChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h2,5H,1,3-4H2
InChIKeyJXWYYRHNENMXOZ-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.73
Rot. Bonds3

About 1,1-difluorohexa-1,5-diene

1,1-difluorohexa-1,5-diene (PubChem CID 13495442) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1,1-difluorohexa-1,5-diene.

Molecular Properties

Compound Name1,1-difluorohexa-1,5-diene
PubChem CID13495442
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1,1-difluorohexa-1,5-diene
SMILESC=CCCC=C(F)F
InChIInChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h2,5H,1,3-4H2
InChIKeyJXWYYRHNENMXOZ-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.73
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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Related Compounds

4,4,4-Trifluoro-1-butene
CID 10887850
1-Hexene, 6-fluoro-
CID 9761
1-Pentene, 5-fluoro-
CID 67891
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
1,5-Hexadiene, 1,1,2,3,3-pentafluoro-
CID 10844909
4,4,5,6,6,6-Hexafluoro-1-hexene
CID 15134947
4,4,5,5,6,6,6-Heptafluorohex-1-ene
CID 12594163
1,1-Difluoropent-1-ene
CID 13087753
3,3-Difluoro-1,4-pentadiene
CID 13759164
3,3,4,4,5,5-Hexafluoropent-1-ene
CID 54201357
3,3-Difluorohex-1-ene
CID 54512479

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohexa-1,5-diene?
The IUPAC name of 1,1-difluorohexa-1,5-diene (CID 13495442) is 1,1-difluorohexa-1,5-diene.
What is the SMILES notation for 1,1-difluorohexa-1,5-diene?
The canonical SMILES for 1,1-difluorohexa-1,5-diene is C=CCCC=C(F)F.
What is the InChIKey of 1,1-difluorohexa-1,5-diene?
The InChIKey is JXWYYRHNENMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h2,5H,1,3-4H2.
What are the key properties of 1,1-difluorohexa-1,5-diene?
1,1-difluorohexa-1,5-diene has a molecular weight of 118.13 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohexa-1,5-diene is sourced from PubChem (CID 13495442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).