1-fluoroocta-1,2,3,4,5,6,7-heptaene

C8H3F — CID 71426856

IUPAC1-fluoroocta-1,2,3,4,5,6,7-heptaene
SMILESC=C=C=C=C=C=C=CF
InChIInChI=1S/C8H3F/c1-2-3-4-5-6-7-8-9/h8H,1H2
InChIKeyKCQBMWJRLFOQBT-UHFFFAOYSA-N
MW118.11 g/mol
LogP2.03
Rot. Bonds

About 1-fluoroocta-1,2,3,4,5,6,7-heptaene

1-fluoroocta-1,2,3,4,5,6,7-heptaene (PubChem CID 71426856) has the molecular formula C8H3F and a molecular weight of 118.11 g/mol. Its IUPAC name is 1-fluoroocta-1,2,3,4,5,6,7-heptaene.

Molecular Properties

Compound Name1-fluoroocta-1,2,3,4,5,6,7-heptaene
PubChem CID71426856
Molecular FormulaC8H3F
Molecular Weight118.11 g/mol
Exact Mass118.02
IUPAC Name1-fluoroocta-1,2,3,4,5,6,7-heptaene
SMILESC=C=C=C=C=C=C=CF
InChIInChI=1S/C8H3F/c1-2-3-4-5-6-7-8-9/h8H,1H2
InChIKeyKCQBMWJRLFOQBT-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroocta-1,2,3,4,5,6,7-heptaene?
The IUPAC name of 1-fluoroocta-1,2,3,4,5,6,7-heptaene (CID 71426856) is 1-fluoroocta-1,2,3,4,5,6,7-heptaene.
What is the SMILES notation for 1-fluoroocta-1,2,3,4,5,6,7-heptaene?
The canonical SMILES for 1-fluoroocta-1,2,3,4,5,6,7-heptaene is C=C=C=C=C=C=C=CF.
What is the InChIKey of 1-fluoroocta-1,2,3,4,5,6,7-heptaene?
The InChIKey is KCQBMWJRLFOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F/c1-2-3-4-5-6-7-8-9/h8H,1H2.
What are the key properties of 1-fluoroocta-1,2,3,4,5,6,7-heptaene?
1-fluoroocta-1,2,3,4,5,6,7-heptaene has a molecular weight of 118.11 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroocta-1,2,3,4,5,6,7-heptaene is sourced from PubChem (CID 71426856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).