2-(3,4-difluorophenyl)-1,3-dioxolane

C9H8F2O2 — CID 24721640

IUPAC2-(3,4-difluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyJDIKHNSLOQHKLX-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.01
Rot. Bonds1

About 2-(3,4-difluorophenyl)-1,3-dioxolane

2-(3,4-difluorophenyl)-1,3-dioxolane (PubChem CID 24721640) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-dioxolane
PubChem CID24721640
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(3,4-difluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyJDIKHNSLOQHKLX-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-dioxolane (CID 24721640) is 2-(3,4-difluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-dioxolane is Fc1ccc(C2OCCO2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-dioxolane?
The InChIKey is JDIKHNSLOQHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-dioxolane?
2-(3,4-difluorophenyl)-1,3-dioxolane has a molecular weight of 186.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 24721640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).