methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate

C6H3F9O3 — CID 11022752

IUPACmethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate
SMILESCOC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9O3/c1-17-2(16)3(7,4(8,9)10)18-6(14,15)5(11,12)13/h1H3
InChIKeySUJXGMJJNALKPI-UHFFFAOYSA-N
MW294.07 g/mol
LogP2.56
Rot. Bonds3

About methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate

methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate (PubChem CID 11022752) has the molecular formula C6H3F9O3 and a molecular weight of 294.07 g/mol. Its IUPAC name is methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate
PubChem CID11022752
Molecular FormulaC6H3F9O3
Molecular Weight294.07 g/mol
Exact Mass293.99
IUPAC Namemethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate
SMILESCOC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9O3/c1-17-2(16)3(7,4(8,9)10)18-6(14,15)5(11,12)13/h1H3
InChIKeySUJXGMJJNALKPI-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate?
The IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate (CID 11022752) is methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate.
What is the SMILES notation for methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate?
The canonical SMILES for methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate is COC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate?
The InChIKey is SUJXGMJJNALKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O3/c1-17-2(16)3(7,4(8,9)10)18-6(14,15)5(11,12)13/h1H3.
What are the key properties of methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate?
methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate has a molecular weight of 294.07 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate is sourced from PubChem (CID 11022752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).