3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene

C7H2F11IO — CID 2782593

IUPAC3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(C=CI)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H
InChIKeyPXYZPNZRASQXPV-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.97
Rot. Bonds4

About 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene

3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene (PubChem CID 2782593) has the molecular formula C7H2F11IO and a molecular weight of 437.97 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene
PubChem CID2782593
Molecular FormulaC7H2F11IO
Molecular Weight437.97 g/mol
Exact Mass437.90
IUPAC Name3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(C=CI)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H
InChIKeyPXYZPNZRASQXPV-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene (CID 2782593) is 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene is FC(F)(F)C(F)(C=CI)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene?
The InChIKey is PXYZPNZRASQXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H.
What are the key properties of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene?
3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene has a molecular weight of 437.97 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene is sourced from PubChem (CID 2782593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).