[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate

C13H10F10O7 — CID 87065443

IUPAC[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COC(=O)C=C
InChIInChI=1S/C13H10F10O7/c1-3-7(24)26-5-9(14,15)28-11(18,19)12(20,21)30-13(22,23)29-10(16,17)6-27-8(25)4-2/h3-4H,1-2,5-6H2
InChIKeyWHGKRECGQHYUHL-UHFFFAOYSA-N
MW468.20 g/mol
LogP3.42
Rot. Bonds13

About [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate

[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate (PubChem CID 87065443) has the molecular formula C13H10F10O7 and a molecular weight of 468.20 g/mol. Its IUPAC name is [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
PubChem CID87065443
Molecular FormulaC13H10F10O7
Molecular Weight468.20 g/mol
Exact Mass468.03
IUPAC Name[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COC(=O)C=C
InChIInChI=1S/C13H10F10O7/c1-3-7(24)26-5-9(14,15)28-11(18,19)12(20,21)30-13(22,23)29-10(16,17)6-27-8(25)4-2/h3-4H,1-2,5-6H2
InChIKeyWHGKRECGQHYUHL-UHFFFAOYSA-N
XLogP3.42
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 58536587
CID 58536587
[2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethyl] prop-2-enoate
CID 140957950
molecular hydrogen;prop-2-enoyloxymethyl 6-[7-[[2-[2-[[1,1-difluoro-2-[7-[[6-oxo-6-(prop-2-enoyloxymethoxy)hexoxy]carbonylamino]heptylcarbamoyloxy]ethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]carbonylamino]heptylcarbamoyloxy]hexanoate
CID 159622060
[2-[2-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-2,3,3,3-tetrafluoropropyl] prop-2-enoate
CID 137451006
[2-[2-[3-[[3-[2-(1,1-difluoro-2-prop-2-enoyloxyethoxy)-1,1,2,2-tetrafluoroethoxy]-3,3-difluoropropoxy]-phenylphosphoryl]oxy-1,1-difluoropropoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 176728156
[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
CID 58536590
[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
[2,2,3,3-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
CID 58122137
(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
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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate?
The IUPAC name of [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate (CID 87065443) is [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate.
What is the SMILES notation for [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate?
The canonical SMILES for [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate is C=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COC(=O)C=C.
What is the InChIKey of [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate?
The InChIKey is WHGKRECGQHYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F10O7/c1-3-7(24)26-5-9(14,15)28-11(18,19)12(20,21)30-13(22,23)29-10(16,17)6-27-8(25)4-2/h3-4H,1-2,5-6H2.
What are the key properties of [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate?
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate has a molecular weight of 468.20 g/mol, XLogP of 3.42, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate is sourced from PubChem (CID 87065443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).