4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene

C14H8F18O — CID 87940799

IUPAC4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F18O/c1-5(3-7(15,16)9(19,20)11(23,24)13(27,28)29)33-6(2)4-8(17,18)10(21,22)12(25,26)14(30,31)32/h1-4H2
InChIKeyIDLQAHXWFDGXPC-UHFFFAOYSA-N
MW534.18 g/mol
LogP7.75
Rot. Bonds10

About 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene

4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene (PubChem CID 87940799) has the molecular formula C14H8F18O and a molecular weight of 534.18 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene
PubChem CID87940799
Molecular FormulaC14H8F18O
Molecular Weight534.18 g/mol
Exact Mass534.03
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F18O/c1-5(3-7(15,16)9(19,20)11(23,24)13(27,28)29)33-6(2)4-8(17,18)10(21,22)12(25,26)14(30,31)32/h1-4H2
InChIKeyIDLQAHXWFDGXPC-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.18
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene (CID 87940799) is 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene is C=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene?
The InChIKey is IDLQAHXWFDGXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F18O/c1-5(3-7(15,16)9(19,20)11(23,24)13(27,28)29)33-6(2)4-8(17,18)10(21,22)12(25,26)14(30,31)32/h1-4H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene?
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene has a molecular weight of 534.18 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 87940799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).