2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

C11H15F5O4 — CID 91692461

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC1(C)COC(CCOC(=O)C(F)(F)C(F)(F)F)OC1
InChIInChI=1S/C11H15F5O4/c1-9(2)5-19-7(20-6-9)3-4-18-8(17)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyDYKPTABGGTYGHA-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.52
Rot. Bonds4

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91692461) has the molecular formula C11H15F5O4 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91692461
Molecular FormulaC11H15F5O4
Molecular Weight306.23 g/mol
Exact Mass306.09
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC1(C)COC(CCOC(=O)C(F)(F)C(F)(F)F)OC1
InChIInChI=1S/C11H15F5O4/c1-9(2)5-19-7(20-6-9)3-4-18-8(17)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyDYKPTABGGTYGHA-UHFFFAOYSA-N
XLogP2.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.52
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-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91692461) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is CC1(C)COC(CCOC(=O)C(F)(F)C(F)(F)F)OC1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DYKPTABGGTYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O4/c1-9(2)5-19-7(20-6-9)3-4-18-8(17)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 306.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91692461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).