[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)

C23H21F17O7 — CID 161378504

IUPAC[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)
SMILESC=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=C(CC(F)(F)F)CC(F)(F)F)C(F)(F)F.FC(F)(F)F.FC(F)(F)F
InChIInChI=1S/C21H21F9O7.2CF4/c1-4-14(31)34-9-18(10-35-15(32)5-2,11-36-16(33)6-3)12-37-17(21(28,29)30)13(7-19(22,23)24)8-20(25,26)27;2*2-1(3,4)5/h4-6H,1-3,7-12H2;;
InChIKeyVRJYXKBDQOOALU-UHFFFAOYSA-N
MW732.38 g/mol
LogP7.85
Rot. Bonds14

About [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)

[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) (PubChem CID 161378504) has the molecular formula C23H21F17O7 and a molecular weight of 732.38 g/mol. Its IUPAC name is [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane).

Molecular Properties

Compound Name[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)
PubChem CID161378504
Molecular FormulaC23H21F17O7
Molecular Weight732.38 g/mol
Exact Mass732.10
IUPAC Name[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)
SMILESC=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=C(CC(F)(F)F)CC(F)(F)F)C(F)(F)F.FC(F)(F)F.FC(F)(F)F
InChIInChI=1S/C21H21F9O7.2CF4/c1-4-14(31)34-9-18(10-35-15(32)5-2,11-36-16(33)6-3)12-37-17(21(28,29)30)13(7-19(22,23)24)8-20(25,26)27;2*2-1(3,4)5/h4-6H,1-3,7-12H2;;
InChIKeyVRJYXKBDQOOALU-UHFFFAOYSA-N
XLogP7.85
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.38
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) with MolForge

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Related Compounds

[2-[[1,1,1,4,5,5,5-heptafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 90264952
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
2,2-bis(hydroxymethyl)-3-methylbutane-1,4-diol;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159925069
(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
CID 58030590
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731

Frequently Asked Questions

What is the IUPAC name of [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)?
The IUPAC name of [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) (CID 161378504) is [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane).
What is the SMILES notation for [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)?
The canonical SMILES for [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) is C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=C(CC(F)(F)F)CC(F)(F)F)C(F)(F)F.FC(F)(F)F.FC(F)(F)F.
What is the InChIKey of [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)?
The InChIKey is VRJYXKBDQOOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F9O7.2CF4/c1-4-14(31)34-9-18(10-35-15(32)5-2,11-36-16(33)6-3)12-37-17(21(28,29)30)13(7-19(22,23)24)8-20(25,26)27;2*2-1(3,4)5/h4-6H,1-3,7-12H2;;.
What are the key properties of [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane)?
[2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) has a molecular weight of 732.38 g/mol, XLogP of 7.85, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1,1,1,5,5,5-hexafluoro-3-(2,2,2-trifluoroethyl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;bis(tetrafluoromethane) is sourced from PubChem (CID 161378504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).