2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane

C12H15FO3 — CID 142891086

IUPAC2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C12H15FO3/c1-8(2)16-11-4-3-9(7-10(11)13)12-14-5-6-15-12/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyHTRJAGCTQWQCFX-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.66
Rot. Bonds3

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

2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane (PubChem CID 142891086) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane
PubChem CID142891086
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane
SMILESCC(C)Oc1ccc(C2OCCO2)cc1F
InChIInChI=1S/C12H15FO3/c1-8(2)16-11-4-3-9(7-10(11)13)12-14-5-6-15-12/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyHTRJAGCTQWQCFX-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane (CID 142891086) is 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane is CC(C)Oc1ccc(C2OCCO2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane?
The InChIKey is HTRJAGCTQWQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(2)16-11-4-3-9(7-10(11)13)12-14-5-6-15-12/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane?
2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane has a molecular weight of 226.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 142891086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).