2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate

C6H7F5O3 — CID 58963643

IUPAC2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O3/c1-13-2-3-14-4(12)5(7,8)6(9,10)11/h2-3H2,1H3
InChIKeyQAWGAEJMAXKSIM-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.37
Rot. Bonds4

About 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate

2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 58963643) has the molecular formula C6H7F5O3 and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID58963643
Molecular FormulaC6H7F5O3
Molecular Weight222.11 g/mol
Exact Mass222.03
IUPAC Name2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O3/c1-13-2-3-14-4(12)5(7,8)6(9,10)11/h2-3H2,1H3
InChIKeyQAWGAEJMAXKSIM-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate (CID 58963643) is 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate is COCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is QAWGAEJMAXKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O3/c1-13-2-3-14-4(12)5(7,8)6(9,10)11/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate?
2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 222.11 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 58963643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).