2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

C6H2F8O — CID 57280905

IUPAC2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(=COC(F)=C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F8O/c7-2(6(13,14)5(11)12)1-15-4(10)3(8)9/h1,5H
InChIKeyFLNJNXVACALKNU-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.75
Rot. Bonds4

About 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene

2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 57280905) has the molecular formula C6H2F8O and a molecular weight of 242.06 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID57280905
Molecular FormulaC6H2F8O
Molecular Weight242.06 g/mol
Exact Mass242.00
IUPAC Name2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESFC(=COC(F)=C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F8O/c7-2(6(13,14)5(11)12)1-15-4(10)3(8)9/h1,5H
InChIKeyFLNJNXVACALKNU-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.75
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 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene (CID 57280905) is 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is FC(=COC(F)=C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is FLNJNXVACALKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O/c7-2(6(13,14)5(11)12)1-15-4(10)3(8)9/h1,5H.
What are the key properties of 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene?
2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 242.06 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-1-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 57280905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).