(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene

C8H8F8 — CID 90213776

IUPAC(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
SMILESFC(F)(F)C/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F8/c9-6(10,8(14,15)16)4-2-1-3-5-7(11,12)13/h1,3H,2,4-5H2/b3-1+
InChIKeyFFDVSTXAUUGYEA-HNQUOIGGSA-N
MW256.14 g/mol
LogP4.47
Rot. Bonds4

About (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene

(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene (PubChem CID 90213776) has the molecular formula C8H8F8 and a molecular weight of 256.14 g/mol. Its IUPAC name is (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
PubChem CID90213776
Molecular FormulaC8H8F8
Molecular Weight256.14 g/mol
Exact Mass256.05
IUPAC Name(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
SMILESFC(F)(F)C/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F8/c9-6(10,8(14,15)16)4-2-1-3-5-7(11,12)13/h1,3H,2,4-5H2/b3-1+
InChIKeyFFDVSTXAUUGYEA-HNQUOIGGSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene?
The IUPAC name of (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene (CID 90213776) is (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene.
What is the SMILES notation for (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene?
The canonical SMILES for (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene is FC(F)(F)C/C=C/CCC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene?
The InChIKey is FFDVSTXAUUGYEA-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H8F8/c9-6(10,8(14,15)16)4-2-1-3-5-7(11,12)13/h1,3H,2,4-5H2/b3-1+.
What are the key properties of (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene?
(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene has a molecular weight of 256.14 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene is sourced from PubChem (CID 90213776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).