(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate

C7H5F7O3 — CID 58030590

IUPAC(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)OF
InChIInChI=1S/C7H5F7O3/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)17-14/h2H,1,3H2
InChIKeyWIKUISOPFYVYOA-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.48
Rot. Bonds6

About (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate

(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate (PubChem CID 58030590) has the molecular formula C7H5F7O3 and a molecular weight of 270.10 g/mol. Its IUPAC name is (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
PubChem CID58030590
Molecular FormulaC7H5F7O3
Molecular Weight270.10 g/mol
Exact Mass270.01
IUPAC Name(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)OF
InChIInChI=1S/C7H5F7O3/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)17-14/h2H,1,3H2
InChIKeyWIKUISOPFYVYOA-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
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-tetrafluoro-3-[2-fluoro-2,3-bis(1,1,2,2-tetrafluoro-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
CID 58122137
[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
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
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
[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propyl] prop-2-enoate
CID 71685931
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate?
The IUPAC name of (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate (CID 58030590) is (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate.
What is the SMILES notation for (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate?
The canonical SMILES for (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)OF.
What is the InChIKey of (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate?
The InChIKey is WIKUISOPFYVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O3/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)17-14/h2H,1,3H2.
What are the key properties of (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate?
(2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate has a molecular weight of 270.10 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4-hexafluoro-4-fluorooxybutyl) prop-2-enoate is sourced from PubChem (CID 58030590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).