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

C8H3F13O — CID 132609089

IUPAC(E)-1,1,1,2,2,3,4,5,6,6,7,7,7-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/b3-2+
InChIKeyPTKJSFYAFCRXCI-NSCUHMNNSA-N
MW362.09 g/mol
LogP4.84
Rot. Bonds4

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

(E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene (PubChem CID 132609089) has the molecular formula C8H3F13O and a molecular weight of 362.09 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene
PubChem CID132609089
Molecular FormulaC8H3F13O
Molecular Weight362.09 g/mol
Exact Mass362.00
IUPAC Name(E)-1,1,1,2,2,3,4,5,6,6,7,7,7-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/b3-2+
InChIKeyPTKJSFYAFCRXCI-NSCUHMNNSA-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'}

Analyze (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene with MolForge

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Related Compounds

1,1,1,2,3,4,5,5,5-Nonafluoro-4-methoxypent-2-ene
CID 12756903
1,2,3,3,4,4,5-Heptafluoro-5-methoxycyclopentene
CID 129671657
5-Methoxyperfluoro-2,4-dimethyl-3-heptene
CID 129813210
1,2,3,3,4,5,6-Heptafluoro-6-methoxycyclohexa-1,4-diene
CID 21731961
1,1,2,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-methoxyhept-2-ene
CID 71381712
1,1,1,2,2,3,4,5,6,6,7,7,7-Tridecafluoro-5-methoxyhept-3-ene
CID 87091155
1,1,1,2,3,4,5,5,6,6,7,7,7-Tridecafluoro-4-methoxyhept-2-ene
CID 87091229
CID 87091254
CID 87091254
1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-2-methoxyoct-3-ene
CID 87091318
(E)-1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614881
(E)-1,1,2,3,4,4,5,5,5-nonafluoro-1-methoxypent-2-ene
CID 117820977
2-(1,1,1,2,3,4,5,5,6,7,7,7-Dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene
CID 141454667

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The IUPAC name of (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene (CID 132609089) is (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The canonical SMILES for (E)-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 (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
The InChIKey is PTKJSFYAFCRXCI-NSCUHMNNSA-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/b3-2+.
What are the key properties of (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene?
(E)-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 (E)-1,1,1,2,2,3,4,5,6,6,7,7,7-tridecafluoro-5-methoxyhept-3-ene is sourced from PubChem (CID 132609089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).