2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane

C11H13FO3 — CID 22615139

IUPAC2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1ccc(C2(C)OCCO2)c(F)c1
InChIInChI=1S/C11H13FO3/c1-11(14-5-6-15-11)9-4-3-8(13-2)7-10(9)12/h3-4,7H,5-6H2,1-2H3
InChIKeyZGCNCFPPQJZXGF-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.05
Rot. Bonds2

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

2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane (PubChem CID 22615139) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
PubChem CID22615139
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1ccc(C2(C)OCCO2)c(F)c1
InChIInChI=1S/C11H13FO3/c1-11(14-5-6-15-11)9-4-3-8(13-2)7-10(9)12/h3-4,7H,5-6H2,1-2H3
InChIKeyZGCNCFPPQJZXGF-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-(2-fluoro-4-methoxyphenyl)azetidine
CID 103397020
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
1,2-difluoro-4-methoxybenzene;oxolane
CID 174837143
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
2-fluoro-4-methoxyaniline
CID 3756383
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 22735928
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane (CID 22615139) is 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane is COc1ccc(C2(C)OCCO2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is ZGCNCFPPQJZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(14-5-6-15-11)9-4-3-8(13-2)7-10(9)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane?
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 212.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 22615139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).