4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one

C8H11FO4 — CID 138667325

IUPAC4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C)OC(=O)OC1C
InChIInChI=1S/C8H11FO4/c1-5(9)4-11-8(3)6(2)12-7(10)13-8/h6H,1,4H2,2-3H3
InChIKeyDIHVXSIRDJNJSO-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.76
Rot. Bonds3

About 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one

4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 138667325) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID138667325
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C)OC(=O)OC1C
InChIInChI=1S/C8H11FO4/c1-5(9)4-11-8(3)6(2)12-7(10)13-8/h6H,1,4H2,2-3H3
InChIKeyDIHVXSIRDJNJSO-UHFFFAOYSA-N
XLogP1.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one (CID 138667325) is 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one is C=C(F)COC1(C)OC(=O)OC1C.
What is the InChIKey of 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is DIHVXSIRDJNJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO4/c1-5(9)4-11-8(3)6(2)12-7(10)13-8/h6H,1,4H2,2-3H3.
What are the key properties of 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 190.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138667325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).