7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene

C13H16F10O2 — CID 21195217

IUPAC7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene
SMILESC=CCCCCC(F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F10O2/c1-2-3-4-5-6-9(14)7-24-8-10(15,16)12(20,21)25-13(22,23)11(17,18)19/h2,9H,1,3-8H2
InChIKeyDWMGQGDIENPUHQ-UHFFFAOYSA-N
MW394.25 g/mol
LogP5.49
Rot. Bonds12

About 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene

7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene (PubChem CID 21195217) has the molecular formula C13H16F10O2 and a molecular weight of 394.25 g/mol. Its IUPAC name is 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene.

Molecular Properties

Compound Name7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene
PubChem CID21195217
Molecular FormulaC13H16F10O2
Molecular Weight394.25 g/mol
Exact Mass394.10
IUPAC Name7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene
SMILESC=CCCCCC(F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F10O2/c1-2-3-4-5-6-9(14)7-24-8-10(15,16)12(20,21)25-13(22,23)11(17,18)19/h2,9H,1,3-8H2
InChIKeyDWMGQGDIENPUHQ-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.25
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene?
The IUPAC name of 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene (CID 21195217) is 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene.
What is the SMILES notation for 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene?
The canonical SMILES for 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene is C=CCCCCC(F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene?
The InChIKey is DWMGQGDIENPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F10O2/c1-2-3-4-5-6-9(14)7-24-8-10(15,16)12(20,21)25-13(22,23)11(17,18)19/h2,9H,1,3-8H2.
What are the key properties of 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene?
7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene has a molecular weight of 394.25 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene is sourced from PubChem (CID 21195217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).