2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane

C13H17FO2 — CID 138574777

IUPAC2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane
SMILESCC(C)c1cc(C2(C)OCCO2)ccc1F
InChIInChI=1S/C13H17FO2/c1-9(2)11-8-10(4-5-12(11)14)13(3)15-6-7-16-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLRBGYRRLDQPZJJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane

2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 138574777) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane
PubChem CID138574777
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane
SMILESCC(C)c1cc(C2(C)OCCO2)ccc1F
InChIInChI=1S/C13H17FO2/c1-9(2)11-8-10(4-5-12(11)14)13(3)15-6-7-16-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLRBGYRRLDQPZJJ-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane (CID 138574777) is 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane is CC(C)c1cc(C2(C)OCCO2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is LRBGYRRLDQPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9(2)11-8-10(4-5-12(11)14)13(3)15-6-7-16-13/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane?
2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 224.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-propan-2-ylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 138574777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).