1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene

C8H3F13O — CID 87091155

IUPAC1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c1-22-5(13,6(14,15)8(19,20)21)3(10)2(9)4(11,12)7(16,17)18/h1H3
InChIKeyPTKJSFYAFCRXCI-UHFFFAOYSA-N
MW362.09 g/mol
LogP4.84
Rot. Bonds4

About 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene

1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene (PubChem CID 87091155) has the molecular formula C8H3F13O and a molecular weight of 362.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene
PubChem CID87091155
Molecular FormulaC8H3F13O
Molecular Weight362.09 g/mol
Exact Mass362.00
IUPAC Name1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c1-22-5(13,6(14,15)8(19,20)21)3(10)2(9)4(11,12)7(16,17)18/h1H3
InChIKeyPTKJSFYAFCRXCI-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The IUPAC name of 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene (CID 87091155) is 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene.
What is the SMILES notation for 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The canonical SMILES for 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene is COC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The InChIKey is PTKJSFYAFCRXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O/c1-22-5(13,6(14,15)8(19,20)21)3(10)2(9)4(11,12)7(16,17)18/h1H3.
What are the key properties of 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene has a molecular weight of 362.09 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene is sourced from PubChem (CID 87091155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).