3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

C8H3F13O — CID 175359702

IUPAC3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESFCC(F)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c9-1-2(10)22-4(5(11,12)8(19,20)21)3(6(13,14)15)7(16,17)18/h2H,1H2
InChIKeyJPZXJAUVBDYDDV-UHFFFAOYSA-N
MW362.09 g/mol
LogP4.84
Rot. Bonds4

About 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 175359702) has the molecular formula C8H3F13O and a molecular weight of 362.09 g/mol. Its IUPAC name is 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID175359702
Molecular FormulaC8H3F13O
Molecular Weight362.09 g/mol
Exact Mass362.00
IUPAC Name3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESFCC(F)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c9-1-2(10)22-4(5(11,12)8(19,20)21)3(6(13,14)15)7(16,17)18/h2H,1H2
InChIKeyJPZXJAUVBDYDDV-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.84
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-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (CID 175359702) is 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is FCC(F)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is JPZXJAUVBDYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O/c9-1-2(10)22-4(5(11,12)8(19,20)21)3(6(13,14)15)7(16,17)18/h2H,1H2.
What are the key properties of 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 362.09 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 175359702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).