2-(3-fluorophenyl)-1,3-dioxolane

C9H9FO2 — CID 22012609

IUPAC2-(3-fluorophenyl)-1,3-dioxolane
SMILESFc1cccc(C2OCCO2)c1
InChIInChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKeyMDYQKLPZGKDZMF-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.87
Rot. Bonds1

About 2-(3-fluorophenyl)-1,3-dioxolane

2-(3-fluorophenyl)-1,3-dioxolane (PubChem CID 22012609) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3-dioxolane
PubChem CID22012609
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-(3-fluorophenyl)-1,3-dioxolane
SMILESFc1cccc(C2OCCO2)c1
InChIInChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKeyMDYQKLPZGKDZMF-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-fluorophenyl)-1,3-dioxolane (CID 22012609) is 2-(3-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-fluorophenyl)-1,3-dioxolane is Fc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3-dioxolane?
The InChIKey is MDYQKLPZGKDZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2.
What are the key properties of 2-(3-fluorophenyl)-1,3-dioxolane?
2-(3-fluorophenyl)-1,3-dioxolane has a molecular weight of 168.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 22012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).