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;1,1,2,2-tetrafluoroethene

C12F22O — CID 86747576

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;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.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
InChIInChI=1S/C10F18O.C2F4/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;3-1(4)2(5)6
InChIKeyDCSIADKYJYMWMM-UHFFFAOYSA-N
MW578.09 g/mol
LogP8.88
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;1,1,2,2-tetrafluoroethene

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;1,1,2,2-tetrafluoroethene (PubChem CID 86747576) has the molecular formula C12F22O and a molecular weight of 578.09 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;1,1,2,2-tetrafluoroethene.

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;1,1,2,2-tetrafluoroethene
PubChem CID86747576
Molecular FormulaC12F22O
Molecular Weight578.09 g/mol
Exact Mass577.96
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;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.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
InChIInChI=1S/C10F18O.C2F4/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;3-1(4)2(5)6
InChIKeyDCSIADKYJYMWMM-UHFFFAOYSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.09
LogP ≤ 58.88
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;1,1,2,2-tetrafluoroethene?
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;1,1,2,2-tetrafluoroethene (CID 86747576) 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;1,1,2,2-tetrafluoroethene.
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;1,1,2,2-tetrafluoroethene?
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;1,1,2,2-tetrafluoroethene is FC(F)=C(F)F.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;1,1,2,2-tetrafluoroethene?
The InChIKey is DCSIADKYJYMWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O.C2F4/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;3-1(4)2(5)6.
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;1,1,2,2-tetrafluoroethene?
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;1,1,2,2-tetrafluoroethene has a molecular weight of 578.09 g/mol, XLogP of 8.88, 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;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 86747576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).