4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride

C10H8F2O3 — CID 143451455

IUPAC4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
SMILESO=C(F)c1ccc(C2OCCO2)c(F)c1
InChIInChI=1S/C10H8F2O3/c11-8-5-6(9(12)13)1-2-7(8)10-14-3-4-15-10/h1-2,5,10H,3-4H2
InChIKeyZOZXUPWBUNNENO-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.98
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride

4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride (PubChem CID 143451455) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
PubChem CID143451455
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
SMILESO=C(F)c1ccc(C2OCCO2)c(F)c1
InChIInChI=1S/C10H8F2O3/c11-8-5-6(9(12)13)1-2-7(8)10-14-3-4-15-10/h1-2,5,10H,3-4H2
InChIKeyZOZXUPWBUNNENO-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride (CID 143451455) is 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride is O=C(F)c1ccc(C2OCCO2)c(F)c1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride?
The InChIKey is ZOZXUPWBUNNENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-8-5-6(9(12)13)1-2-7(8)10-14-3-4-15-10/h1-2,5,10H,3-4H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride?
4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride has a molecular weight of 214.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride is sourced from PubChem (CID 143451455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).