1,1,2,3,3-pentafluorohexa-1,5-diene

C6H5F5 — CID 10844909

IUPAC1,1,2,3,3-pentafluorohexa-1,5-diene
SMILESC=CCC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H5F5/c1-2-3-6(10,11)4(7)5(8)9/h2H,1,3H2
InChIKeyVQARNTIMQXQMLS-UHFFFAOYSA-N
MW172.10 g/mol
LogP3.28
Rot. Bonds3

About 1,1,2,3,3-pentafluorohexa-1,5-diene

1,1,2,3,3-pentafluorohexa-1,5-diene (PubChem CID 10844909) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluorohexa-1,5-diene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluorohexa-1,5-diene
PubChem CID10844909
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name1,1,2,3,3-pentafluorohexa-1,5-diene
SMILESC=CCC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H5F5/c1-2-3-6(10,11)4(7)5(8)9/h2H,1,3H2
InChIKeyVQARNTIMQXQMLS-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
4,4,4-Trifluoro-1-butene
CID 10887850
4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptene
CID 11579778
3,3,4,4,5,5,6,6-Octafluoro-1-hexene
CID 15828066
Ethene;3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene;1,1,2,2-tetrafluoroethene
CID 176369
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
4,4,5,6,6,6-Hexafluoro-1-hexene
CID 15134947
2,4,4,4-Tetrafluorobut-1-ene
CID 11983797

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluorohexa-1,5-diene?
The IUPAC name of 1,1,2,3,3-pentafluorohexa-1,5-diene (CID 10844909) is 1,1,2,3,3-pentafluorohexa-1,5-diene.
What is the SMILES notation for 1,1,2,3,3-pentafluorohexa-1,5-diene?
The canonical SMILES for 1,1,2,3,3-pentafluorohexa-1,5-diene is C=CCC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluorohexa-1,5-diene?
The InChIKey is VQARNTIMQXQMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c1-2-3-6(10,11)4(7)5(8)9/h2H,1,3H2.
What are the key properties of 1,1,2,3,3-pentafluorohexa-1,5-diene?
1,1,2,3,3-pentafluorohexa-1,5-diene has a molecular weight of 172.10 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluorohexa-1,5-diene is sourced from PubChem (CID 10844909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).