3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene

C8H6F8O — CID 57004830

IUPAC3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene
SMILESFC(F)C(F)(F)C=COC=CC(F)(F)C(F)F
InChIInChI=1S/C8H6F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h1-6H
InChIKeySDTGITCEDUUBHA-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.83
Rot. Bonds6

About 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene

3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene (PubChem CID 57004830) has the molecular formula C8H6F8O and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene
PubChem CID57004830
Molecular FormulaC8H6F8O
Molecular Weight270.12 g/mol
Exact Mass270.03
IUPAC Name3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene
SMILESFC(F)C(F)(F)C=COC=CC(F)(F)C(F)F
InChIInChI=1S/C8H6F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h1-6H
InChIKeySDTGITCEDUUBHA-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.83
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 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene (CID 57004830) is 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene is FC(F)C(F)(F)C=COC=CC(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene?
The InChIKey is SDTGITCEDUUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8O/c9-5(10)7(13,14)1-3-17-4-2-8(15,16)6(11)12/h1-6H.
What are the key properties of 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene?
3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene has a molecular weight of 270.12 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1-(3,3,4,4-tetrafluorobut-1-enoxy)but-1-ene is sourced from PubChem (CID 57004830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).