2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene

C13H7F17O2 — CID 139892651

IUPAC2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
SMILESC=COC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H7F17O2/c1-3-31-4(2)32-6(9(16,17)18)5(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h3-4H,1H2,2H3
InChIKeyBRPQZUQDXIRZQM-UHFFFAOYSA-N
MW518.16 g/mol
LogP6.99
Rot. Bonds6

About 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene

2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene (PubChem CID 139892651) has the molecular formula C13H7F17O2 and a molecular weight of 518.16 g/mol. Its IUPAC name is 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
PubChem CID139892651
Molecular FormulaC13H7F17O2
Molecular Weight518.16 g/mol
Exact Mass518.02
IUPAC Name2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
SMILESC=COC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H7F17O2/c1-3-31-4(2)32-6(9(16,17)18)5(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h3-4H,1H2,2H3
InChIKeyBRPQZUQDXIRZQM-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.16
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene (CID 139892651) is 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene is C=COC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The InChIKey is BRPQZUQDXIRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F17O2/c1-3-31-4(2)32-6(9(16,17)18)5(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h3-4H,1H2,2H3.
What are the key properties of 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene has a molecular weight of 518.16 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethoxy)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 139892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).