methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate

C6H7F5O3 — CID 154691532

IUPACmethyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
SMILESCOC(=O)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O3/c1-13-4(12)2-14-3-5(7,8)6(9,10)11/h2-3H2,1H3
InChIKeyJBTSODASDDOWDO-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.37
Rot. Bonds4

About methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate

methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate (PubChem CID 154691532) has the molecular formula C6H7F5O3 and a molecular weight of 222.11 g/mol. Its IUPAC name is methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
PubChem CID154691532
Molecular FormulaC6H7F5O3
Molecular Weight222.11 g/mol
Exact Mass222.03
IUPAC Namemethyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
SMILESCOC(=O)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O3/c1-13-4(12)2-14-3-5(7,8)6(9,10)11/h2-3H2,1H3
InChIKeyJBTSODASDDOWDO-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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate?
The IUPAC name of methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate (CID 154691532) is methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate.
What is the SMILES notation for methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate?
The canonical SMILES for methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate is COC(=O)COCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate?
The InChIKey is JBTSODASDDOWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O3/c1-13-4(12)2-14-3-5(7,8)6(9,10)11/h2-3H2,1H3.
What are the key properties of methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate?
methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate 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 methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate is sourced from PubChem (CID 154691532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).