4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole

C8H11FO3 — CID 154637590

IUPAC4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
SMILESC=C(F)OCC1=COC(C)(C)O1
InChIInChI=1S/C8H11FO3/c1-6(9)10-4-7-5-11-8(2,3)12-7/h5H,1,4H2,2-3H3
InChIKeyDEINJPRJFYPYCL-UHFFFAOYSA-N
MW174.17 g/mol
LogP2.07
Rot. Bonds3

About 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole

4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole (PubChem CID 154637590) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
PubChem CID154637590
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
SMILESC=C(F)OCC1=COC(C)(C)O1
InChIInChI=1S/C8H11FO3/c1-6(9)10-4-7-5-11-8(2,3)12-7/h5H,1,4H2,2-3H3
InChIKeyDEINJPRJFYPYCL-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole?
The IUPAC name of 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole (CID 154637590) is 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole.
What is the SMILES notation for 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole?
The canonical SMILES for 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole is C=C(F)OCC1=COC(C)(C)O1.
What is the InChIKey of 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole?
The InChIKey is DEINJPRJFYPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c1-6(9)10-4-7-5-11-8(2,3)12-7/h5H,1,4H2,2-3H3.
What are the key properties of 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole?
4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole has a molecular weight of 174.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole is sourced from PubChem (CID 154637590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).