(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane

C23H16F30O7 — CID 163440196

IUPAC(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F.FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OC/C=C/COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.OC/C=C/CO
InChIInChI=1S/C14H8F20O4.C5F10O.C4H8O2/c15-5(37-13(31,32)9(21,22)11(25,26)27)7(17,18)35-3-1-2-4-36-8(19,20)6(16)38-14(33,34)10(23,24)12(28,29)30;6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13;5-3-1-2-4-6/h1-2,5-6H,3-4H2;;1-2,5-6H,3-4H2/b2-1+;;2-1+
InChIKeyAXWFVPVSEMEQDJ-UGFCIBDOSA-N
MW974.31 g/mol
LogP10.32
Rot. Bonds19

About (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane

(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 163440196) has the molecular formula C23H16F30O7 and a molecular weight of 974.31 g/mol. Its IUPAC name is (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID163440196
Molecular FormulaC23H16F30O7
Molecular Weight974.31 g/mol
Exact Mass974.04
IUPAC Name(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F.FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OC/C=C/COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.OC/C=C/CO
InChIInChI=1S/C14H8F20O4.C5F10O.C4H8O2/c15-5(37-13(31,32)9(21,22)11(25,26)27)7(17,18)35-3-1-2-4-36-8(19,20)6(16)38-14(33,34)10(23,24)12(28,29)30;6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13;5-3-1-2-4-6/h1-2,5-6H,3-4H2;;1-2,5-6H,3-4H2/b2-1+;;2-1+
InChIKeyAXWFVPVSEMEQDJ-UGFCIBDOSA-N
XLogP10.32
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.31
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane with MolForge

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Related Compounds

(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;methane
CID 158491159

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane (CID 163440196) is (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F.FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OC/C=C/COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.OC/C=C/CO.
What is the InChIKey of (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is AXWFVPVSEMEQDJ-UGFCIBDOSA-N. The full InChI is InChI=1S/C14H8F20O4.C5F10O.C4H8O2/c15-5(37-13(31,32)9(21,22)11(25,26)27)7(17,18)35-3-1-2-4-36-8(19,20)6(16)38-14(33,34)10(23,24)12(28,29)30;6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13;5-3-1-2-4-6/h1-2,5-6H,3-4H2;;1-2,5-6H,3-4H2/b2-1+;;2-1+.
What are the key properties of (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane?
(E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 974.31 g/mol, XLogP of 10.32, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]but-2-ene;(E)-but-2-ene-1,4-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 163440196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).