3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene

C11H10F12O — CID 90690080

IUPAC3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene
SMILESC=CCF.CC(F)(F)C(F)(F)OC(F)(F)CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H5F11O.C3H5F/c1-5(12,13)8(18,19)20-7(16,17)2-6(14,15)3(9)4(10)11;1-2-3-4/h2H2,1H3;2H,1,3H2
InChIKeySCYZMPIDYIQOIS-UHFFFAOYSA-N
MW386.18 g/mol
LogP6.09
Rot. Bonds7

About 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene

3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene (PubChem CID 90690080) has the molecular formula C11H10F12O and a molecular weight of 386.18 g/mol. Its IUPAC name is 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene.

Molecular Properties

Compound Name3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene
PubChem CID90690080
Molecular FormulaC11H10F12O
Molecular Weight386.18 g/mol
Exact Mass386.05
IUPAC Name3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene
SMILESC=CCF.CC(F)(F)C(F)(F)OC(F)(F)CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H5F11O.C3H5F/c1-5(12,13)8(18,19)20-7(16,17)2-6(14,15)3(9)4(10)11;1-2-3-4/h2H2,1H3;2H,1,3H2
InChIKeySCYZMPIDYIQOIS-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.18
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene?
The IUPAC name of 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene (CID 90690080) is 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene.
What is the SMILES notation for 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene?
The canonical SMILES for 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene is C=CCF.CC(F)(F)C(F)(F)OC(F)(F)CC(F)(F)C(F)=C(F)F.
What is the InChIKey of 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene?
The InChIKey is SCYZMPIDYIQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O.C3H5F/c1-5(12,13)8(18,19)20-7(16,17)2-6(14,15)3(9)4(10)11;1-2-3-4/h2H2,1H3;2H,1,3H2.
What are the key properties of 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene?
3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene has a molecular weight of 386.18 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-1-ene;1,1,2,3,3,5,5-heptafluoro-5-(1,1,2,2-tetrafluoropropoxy)pent-1-ene is sourced from PubChem (CID 90690080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).