1,2,3,4,5,5-hexafluoropenta-1,3-diene

C5H2F6 — CID 154049218

IUPAC1,2,3,4,5,5-hexafluoropenta-1,3-diene
SMILESFC=C(F)C(F)=C(F)C(F)F
InChIInChI=1S/C5H2F6/c6-1-2(7)3(8)4(9)5(10)11/h1,5H
InChIKeyQFTXABCHBXOTBF-UHFFFAOYSA-N
MW176.06 g/mol
LogP3.18
Rot. Bonds2

About 1,2,3,4,5,5-hexafluoropenta-1,3-diene

1,2,3,4,5,5-hexafluoropenta-1,3-diene (PubChem CID 154049218) has the molecular formula C5H2F6 and a molecular weight of 176.06 g/mol. Its IUPAC name is 1,2,3,4,5,5-hexafluoropenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,5-hexafluoropenta-1,3-diene
PubChem CID154049218
Molecular FormulaC5H2F6
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name1,2,3,4,5,5-hexafluoropenta-1,3-diene
SMILESFC=C(F)C(F)=C(F)C(F)F
InChIInChI=1S/C5H2F6/c6-1-2(7)3(8)4(9)5(10)11/h1,5H
InChIKeyQFTXABCHBXOTBF-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

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-1,2,3,4-tetrafluoropenta-1,3-diene
CID 163774312
3-bromo-1,2,3-trifluoroprop-1-ene
CID 173452706
(E)-2,3,4,4-tetrafluorobut-2-enal
CID 174819569
(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
CID 90476807
1,2,3,3-tetrafluoro-1-iodoprop-1-ene
CID 175825557
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate
CID 89389989
CID 164906823
CID 164906823
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
CID 161214870
[(1Z,3Z)-1,2,4,5,6-pentafluorohepta-1,3-dien-3-yl] acetate
CID 138643555
3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
carbonic acid;1,1,2,3,3-pentafluoroprop-1-ene
CID 135262212

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5-hexafluoropenta-1,3-diene?
The IUPAC name of 1,2,3,4,5,5-hexafluoropenta-1,3-diene (CID 154049218) is 1,2,3,4,5,5-hexafluoropenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,5-hexafluoropenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5,5-hexafluoropenta-1,3-diene is FC=C(F)C(F)=C(F)C(F)F.
What is the InChIKey of 1,2,3,4,5,5-hexafluoropenta-1,3-diene?
The InChIKey is QFTXABCHBXOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6/c6-1-2(7)3(8)4(9)5(10)11/h1,5H.
What are the key properties of 1,2,3,4,5,5-hexafluoropenta-1,3-diene?
1,2,3,4,5,5-hexafluoropenta-1,3-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 1,2,3,4,5,5-hexafluoropenta-1,3-diene is sourced from PubChem (CID 154049218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).