4-(4-fluorophenyl)-1,3-dioxolan-2-one

C9H7FO3 — CID 102108256

IUPAC4-(4-fluorophenyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(F)cc2)O1
InChIInChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2
InChIKeyPOOFIAZVXKKFPW-UHFFFAOYSA-N
MW182.15 g/mol
LogP2.03
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3-dioxolan-2-one

4-(4-fluorophenyl)-1,3-dioxolan-2-one (PubChem CID 102108256) has the molecular formula C9H7FO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3-dioxolan-2-one
PubChem CID102108256
Molecular FormulaC9H7FO3
Molecular Weight182.15 g/mol
Exact Mass182.04
IUPAC Name4-(4-fluorophenyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(c2ccc(F)cc2)O1
InChIInChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2
InChIKeyPOOFIAZVXKKFPW-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1,3-dioxolan-2-one (CID 102108256) is 4-(4-fluorophenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1,3-dioxolan-2-one is O=C1OCC(c2ccc(F)cc2)O1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3-dioxolan-2-one?
The InChIKey is POOFIAZVXKKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2.
What are the key properties of 4-(4-fluorophenyl)-1,3-dioxolan-2-one?
4-(4-fluorophenyl)-1,3-dioxolan-2-one has a molecular weight of 182.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 102108256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).