2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate

C11H10F8O4 — CID 134264826

IUPAC2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)F.C=CC(=O)OCC(F)(F)F
InChIInChI=1S/C6H5F5O2.C5H5F3O2/c1-2-4(12)13-3-5(7,8)6(9,10)11;1-2-4(9)10-3-5(6,7)8/h2H,1,3H2;2H,1,3H2
InChIKeyNNWRIWIYLGZWQL-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.19
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate

2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate (PubChem CID 134264826) has the molecular formula C11H10F8O4 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
PubChem CID134264826
Molecular FormulaC11H10F8O4
Molecular Weight358.18 g/mol
Exact Mass358.05
IUPAC Name2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
SMILESC=CC(=O)OCC(F)(F)C(F)(F)F.C=CC(=O)OCC(F)(F)F
InChIInChI=1S/C6H5F5O2.C5H5F3O2/c1-2-4(12)13-3-5(7,8)6(9,10)11;1-2-4(9)10-3-5(6,7)8/h2H,1,3H2;2H,1,3H2
InChIKeyNNWRIWIYLGZWQL-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylbut-2-enoic acid;2,2,2-trifluoroethyl prop-2-enoate
CID 87690665
(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
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
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
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecyl prop-2-enoate
CID 87121766
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 164944791
[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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate (CID 134264826) is 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)F.C=CC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate?
The InChIKey is NNWRIWIYLGZWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2.C5H5F3O2/c1-2-4(12)13-3-5(7,8)6(9,10)11;1-2-4(9)10-3-5(6,7)8/h2H,1,3H2;2H,1,3H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate?
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate has a molecular weight of 358.18 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate is sourced from PubChem (CID 134264826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).