1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene

C10F18O — CID 57364009

IUPAC1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene
SMILESFC(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F18O/c11-1(5(15,16)7(19,20)9(23,24)25)3(13)29-4(14)2(12)6(17,18)8(21,22)10(26,27)28
InChIKeyBZPCMSSQHRAJCC-UHFFFAOYSA-N
MW478.07 g/mol
LogP6.89
Rot. Bonds6

About 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene

1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene (PubChem CID 57364009) has the molecular formula C10F18O and a molecular weight of 478.07 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene
PubChem CID57364009
Molecular FormulaC10F18O
Molecular Weight478.07 g/mol
Exact Mass477.97
IUPAC Name1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene
SMILESFC(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F18O/c11-1(5(15,16)7(19,20)9(23,24)25)3(13)29-4(14)2(12)6(17,18)8(21,22)10(26,27)28
InChIKeyBZPCMSSQHRAJCC-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.07
LogP ≤ 56.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene?
The IUPAC name of 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene (CID 57364009) is 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene?
The canonical SMILES for 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene is FC(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene?
The InChIKey is BZPCMSSQHRAJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O/c11-1(5(15,16)7(19,20)9(23,24)25)3(13)29-4(14)2(12)6(17,18)8(21,22)10(26,27)28.
What are the key properties of 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene?
1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene has a molecular weight of 478.07 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,5-nonafluoro-1-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pent-1-ene is sourced from PubChem (CID 57364009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).