2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

C10H13F5O4 — CID 91692052

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC1(C)OCC(CCOC(=O)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H13F5O4/c1-8(2)18-5-6(19-8)3-4-17-7(16)9(11,12)10(13,14)15/h6H,3-5H2,1-2H3
InChIKeyKSTUMZNJKFQWAW-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.27
Rot. Bonds4

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91692052) has the molecular formula C10H13F5O4 and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91692052
Molecular FormulaC10H13F5O4
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC1(C)OCC(CCOC(=O)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H13F5O4/c1-8(2)18-5-6(19-8)3-4-17-7(16)9(11,12)10(13,14)15/h6H,3-5H2,1-2H3
InChIKeyKSTUMZNJKFQWAW-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91692052) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is CC1(C)OCC(CCOC(=O)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is KSTUMZNJKFQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O4/c1-8(2)18-5-6(19-8)3-4-17-7(16)9(11,12)10(13,14)15/h6H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 292.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91692052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).