2-[(3-fluorophenyl)methyl]-1,3-dioxolane

C10H11FO2 — CID 2758703

IUPAC2-[(3-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1cccc(CC2OCCO2)c1
InChIInChI=1S/C10H11FO2/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h1-3,6,10H,4-5,7H2
InChIKeyGOLHCIYPANJQAL-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.74
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-1,3-dioxolane

2-[(3-fluorophenyl)methyl]-1,3-dioxolane (PubChem CID 2758703) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-1,3-dioxolane
PubChem CID2758703
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-[(3-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1cccc(CC2OCCO2)c1
InChIInChI=1S/C10H11FO2/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h1-3,6,10H,4-5,7H2
InChIKeyGOLHCIYPANJQAL-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-1,3-dioxolane (CID 2758703) is 2-[(3-fluorophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-1,3-dioxolane is Fc1cccc(CC2OCCO2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-1,3-dioxolane?
The InChIKey is GOLHCIYPANJQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h1-3,6,10H,4-5,7H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-1,3-dioxolane?
2-[(3-fluorophenyl)methyl]-1,3-dioxolane has a molecular weight of 182.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 2758703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).