1,1,2,3,3,4-hexafluoropenta-1,4-diene

C5H2F6 — CID 167048504

IUPAC1,1,2,3,3,4-hexafluoropenta-1,4-diene
SMILESC=C(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C5H2F6/c1-2(6)5(10,11)3(7)4(8)9/h1H2
InChIKeyOSBLEBFQJXXASR-UHFFFAOYSA-N
MW176.06 g/mol
LogP3.18
Rot. Bonds2

About 1,1,2,3,3,4-hexafluoropenta-1,4-diene

1,1,2,3,3,4-hexafluoropenta-1,4-diene (PubChem CID 167048504) has the molecular formula C5H2F6 and a molecular weight of 176.06 g/mol. Its IUPAC name is 1,1,2,3,3,4-hexafluoropenta-1,4-diene.

Molecular Properties

Compound Name1,1,2,3,3,4-hexafluoropenta-1,4-diene
PubChem CID167048504
Molecular FormulaC5H2F6
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name1,1,2,3,3,4-hexafluoropenta-1,4-diene
SMILESC=C(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C5H2F6/c1-2(6)5(10,11)3(7)4(8)9/h1H2
InChIKeyOSBLEBFQJXXASR-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
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
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
1,1-difluoroethene;ethenoxyethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 174624202
methyl-silyloxy-(1,1,2-trifluoroprop-2-enyl)silane
CID 173100020
lithium;hydride;1,1,2,3,3-pentafluoroprop-2-en-1-ol
CID 173355099
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate
CID 10563131
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
CID 18629941

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The IUPAC name of 1,1,2,3,3,4-hexafluoropenta-1,4-diene (CID 167048504) is 1,1,2,3,3,4-hexafluoropenta-1,4-diene.
What is the SMILES notation for 1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The canonical SMILES for 1,1,2,3,3,4-hexafluoropenta-1,4-diene is C=C(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The InChIKey is OSBLEBFQJXXASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6/c1-2(6)5(10,11)3(7)4(8)9/h1H2.
What are the key properties of 1,1,2,3,3,4-hexafluoropenta-1,4-diene?
1,1,2,3,3,4-hexafluoropenta-1,4-diene has a molecular weight of 176.06 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4-hexafluoropenta-1,4-diene is sourced from PubChem (CID 167048504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).