[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate

C21H19F13O9 — CID 58122137

IUPAC[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)OCC(F)(COC(F)(F)C(F)(F)COC(=O)C=C)OC(F)(F)C(F)(F)COC(=O)C=C
InChIInChI=1S/C21H19F13O9/c1-4-12(35)38-9-16(23,24)19(29,30)41-7-15(22,43-21(33,34)18(27,28)11-40-14(37)6-3)8-42-20(31,32)17(25,26)10-39-13(36)5-2/h4-6H,1-3,7-11H2
InChIKeyYSSGVFZDXRXRSS-UHFFFAOYSA-N
MW662.35 g/mol
LogP4.57
Rot. Bonds20

About [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate

[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate (PubChem CID 58122137) has the molecular formula C21H19F13O9 and a molecular weight of 662.35 g/mol. Its IUPAC name is [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate.

Molecular Properties

Compound Name[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
PubChem CID58122137
Molecular FormulaC21H19F13O9
Molecular Weight662.35 g/mol
Exact Mass662.08
IUPAC Name[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)OCC(F)(COC(F)(F)C(F)(F)COC(=O)C=C)OC(F)(F)C(F)(F)COC(=O)C=C
InChIInChI=1S/C21H19F13O9/c1-4-12(35)38-9-16(23,24)19(29,30)41-7-15(22,43-21(33,34)18(27,28)11-40-14(37)6-3)8-42-20(31,32)17(25,26)10-39-13(36)5-2/h4-6H,1-3,7-11H2
InChIKeyYSSGVFZDXRXRSS-UHFFFAOYSA-N
XLogP4.57
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
CID 58030590
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
[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
[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
CID 19824845
[2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethyl] prop-2-enoate
CID 140957950
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propyl] prop-2-enoate
CID 71685931
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849

Frequently Asked Questions

What is the IUPAC name of [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate?
The IUPAC name of [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate (CID 58122137) is [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate.
What is the SMILES notation for [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate?
The canonical SMILES for [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)OCC(F)(COC(F)(F)C(F)(F)COC(=O)C=C)OC(F)(F)C(F)(F)COC(=O)C=C.
What is the InChIKey of [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate?
The InChIKey is YSSGVFZDXRXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F13O9/c1-4-12(35)38-9-16(23,24)19(29,30)41-7-15(22,43-21(33,34)18(27,28)11-40-14(37)6-3)8-42-20(31,32)17(25,26)10-39-13(36)5-2/h4-6H,1-3,7-11H2.
What are the key properties of [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate?
[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate has a molecular weight of 662.35 g/mol, XLogP of 4.57, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate is sourced from PubChem (CID 58122137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).