1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene

C6H2F8 — CID 141122711

IUPAC1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene
SMILESFCC(F)(F)C(F)=C(F)C(F)=C(F)F
InChIInChI=1S/C6H2F8/c7-1-6(13,14)4(10)2(8)3(9)5(11)12/h1H2
InChIKeyLOKHIPLJGQWYCW-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.82
Rot. Bonds3

About 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene

1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene (PubChem CID 141122711) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene.

Molecular Properties

Compound Name1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene
PubChem CID141122711
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene
SMILESFCC(F)(F)C(F)=C(F)C(F)=C(F)F
InChIInChI=1S/C6H2F8/c7-1-6(13,14)4(10)2(8)3(9)5(11)12/h1H2
InChIKeyLOKHIPLJGQWYCW-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
(3E,5E)-1,1,2,3,4,5,6,7,8,8-decafluoroocta-1,3,5,7-tetraene
CID 101227521
1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
CID 140506877
1,1,2,3,3,4-hexafluorobut-1-ene;(4-methylphenyl)-diphenylsulfanium
CID 159046435
(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
CID 87774691
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
CID 87277497
1,1,2,3,4-pentafluoropenta-1,3-diene
CID 72580836
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
tris(1,1,2-trifluoroethyl)silane
CID 173028512
methane;1,1,1,2-tetrafluoroethane;2,3,3,3-tetrafluoroprop-1-ene
CID 160545532

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene?
The IUPAC name of 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene (CID 141122711) is 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene.
What is the SMILES notation for 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene?
The canonical SMILES for 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene is FCC(F)(F)C(F)=C(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene?
The InChIKey is LOKHIPLJGQWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c7-1-6(13,14)4(10)2(8)3(9)5(11)12/h1H2.
What are the key properties of 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene?
1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene has a molecular weight of 226.07 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,5,6-octafluorohexa-1,3-diene is sourced from PubChem (CID 141122711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).