1,1,1,2,2,3,3-Heptafluorooct-4-ene

C8H9F7 — CID 138396278

IUPAC1,1,1,2,2,3,3-heptafluorooct-4-ene
SMILESCCCC=CC(C(C(F)(F)F)(F)F)(F)F
InChIInChI=1S/C8H9F7/c1-2-3-4-5-6(9,10)7(11,12)8(13,14)15/h4-5H,2-3H2,1H3
InChIKeyLGAFWMLLIBBCRX-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.50
Rot. Bonds4

About 1,1,1,2,2,3,3-Heptafluorooct-4-ene

1,1,1,2,2,3,3-Heptafluorooct-4-ene (PubChem CID 138396278) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluorooct-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3-Heptafluorooct-4-ene
PubChem CID138396278
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name1,1,1,2,2,3,3-heptafluorooct-4-ene
SMILESCCCC=CC(C(C(F)(F)F)(F)F)(F)F
InChIInChI=1S/C8H9F7/c1-2-3-4-5-6(9,10)7(11,12)8(13,14)15/h4-5H,2-3H2,1H3
InChIKeyLGAFWMLLIBBCRX-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-Octene, 1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoro-
CID 12751148
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 5708696
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1-Propenylperfluoropropane
CID 2774912
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-nonene
CID 2776255
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-ene
CID 5708518
1,1,1,2,2,3,3,6,6,7,7,8,8,8-Tetradecafluorooct-4-ene
CID 54112968
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
1,1,1,2,2,3,3-Heptafluoronon-4-ene
CID 2774929
5,6,6,7,7,7-Hexafluoro-4-(trifluoromethyl)-1,4-heptadiene
CID 3019663

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-Heptafluorooct-4-ene?
The IUPAC name of 1,1,1,2,2,3,3-Heptafluorooct-4-ene (CID 138396278) is 1,1,1,2,2,3,3-heptafluorooct-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3-Heptafluorooct-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3-Heptafluorooct-4-ene is CCCC=CC(C(C(F)(F)F)(F)F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-Heptafluorooct-4-ene?
The InChIKey is LGAFWMLLIBBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7/c1-2-3-4-5-6(9,10)7(11,12)8(13,14)15/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-Heptafluorooct-4-ene?
1,1,1,2,2,3,3-Heptafluorooct-4-ene has a molecular weight of 238.15 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-Heptafluorooct-4-ene is sourced from PubChem (CID 138396278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).