[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

C15H5F23O6 — CID 137451006

IUPAC[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
SMILESC=CC(=O)OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F23O6/c1-2-4(39)40-3-5(16,8(19,20)21)41-12(31,32)6(17,9(22,23)24)42-13(33,34)7(18,10(25,26)27)43-15(37,38)44-14(35,36)11(28,29)30/h2H,1,3H2
InChIKeyZRQSGHZAKOSQSW-UHFFFAOYSA-N
MW718.15 g/mol
LogP7.36
Rot. Bonds13

About [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

[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 (PubChem CID 137451006) has the molecular formula C15H5F23O6 and a molecular weight of 718.15 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID137451006
Molecular FormulaC15H5F23O6
Molecular Weight718.15 g/mol
Exact Mass717.97
IUPAC Name[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
SMILESC=CC(=O)OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F23O6/c1-2-4(39)40-3-5(16,8(19,20)21)41-12(31,32)6(17,9(22,23)24)42-13(33,34)7(18,10(25,26)27)43-15(37,38)44-14(35,36)11(28,29)30/h2H,1,3H2
InChIKeyZRQSGHZAKOSQSW-UHFFFAOYSA-N
XLogP7.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.15
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze [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 with MolForge

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Related Compounds

[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propyl] prop-2-enoate
CID 71685931
2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate
CID 91362069
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443
CID 58536587
CID 58536587
methyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propyl] carbonate
CID 122450404
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
[2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethyl] prop-2-enoate
CID 140957950
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[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
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
trimethyl-[2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2-tetrafluoro-3-trimethylsilyloxypropan-2-yl)oxypropan-2-yl]oxypropoxy]silane
CID 11093133

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC(=O)OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is ZRQSGHZAKOSQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F23O6/c1-2-4(39)40-3-5(16,8(19,20)21)41-12(31,32)6(17,9(22,23)24)42-13(33,34)7(18,10(25,26)27)43-15(37,38)44-14(35,36)11(28,29)30/h2H,1,3H2.
What are the key properties of [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?
[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 has a molecular weight of 718.15 g/mol, XLogP of 7.36, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 137451006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).