ethenyl 2,2,3,3,3-pentafluoropropyl carbonate

C6H5F5O3 — CID 164944791

IUPACethenyl 2,2,3,3,3-pentafluoropropyl carbonate
SMILESC=COC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5O3/c1-2-13-4(12)14-3-5(7,8)6(9,10)11/h2H,1,3H2
InChIKeyYLNACMUTQFWHHR-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.48
Rot. Bonds3

About ethenyl 2,2,3,3,3-pentafluoropropyl carbonate

ethenyl 2,2,3,3,3-pentafluoropropyl carbonate (PubChem CID 164944791) has the molecular formula C6H5F5O3 and a molecular weight of 220.09 g/mol. Its IUPAC name is ethenyl 2,2,3,3,3-pentafluoropropyl carbonate.

Molecular Properties

Compound Nameethenyl 2,2,3,3,3-pentafluoropropyl carbonate
PubChem CID164944791
Molecular FormulaC6H5F5O3
Molecular Weight220.09 g/mol
Exact Mass220.02
IUPAC Nameethenyl 2,2,3,3,3-pentafluoropropyl carbonate
SMILESC=COC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5O3/c1-2-13-4(12)14-3-5(7,8)6(9,10)11/h2H,1,3H2
InChIKeyYLNACMUTQFWHHR-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
2,2-difluoroethyl ethenyl carbonate
CID 87091206
azane;chloromethyl ethenyl carbonate
CID 174846723
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl undecyl carbonate
CID 91692931
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
CID 57075811
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
ethenyl 1-fluoroethyl carbonate
CID 90239988

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2,3,3,3-pentafluoropropyl carbonate?
The IUPAC name of ethenyl 2,2,3,3,3-pentafluoropropyl carbonate (CID 164944791) is ethenyl 2,2,3,3,3-pentafluoropropyl carbonate.
What is the SMILES notation for ethenyl 2,2,3,3,3-pentafluoropropyl carbonate?
The canonical SMILES for ethenyl 2,2,3,3,3-pentafluoropropyl carbonate is C=COC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of ethenyl 2,2,3,3,3-pentafluoropropyl carbonate?
The InChIKey is YLNACMUTQFWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O3/c1-2-13-4(12)14-3-5(7,8)6(9,10)11/h2H,1,3H2.
What are the key properties of ethenyl 2,2,3,3,3-pentafluoropropyl carbonate?
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate has a molecular weight of 220.09 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2,3,3,3-pentafluoropropyl carbonate is sourced from PubChem (CID 164944791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).