5-fluoro-2,2,6-trimethyl-1,3-benzodioxole

C10H11FO2 — CID 22955941

IUPAC5-fluoro-2,2,6-trimethyl-1,3-benzodioxole
SMILESCc1cc2c(cc1F)OC(C)(C)O2
InChIInChI=1S/C10H11FO2/c1-6-4-8-9(5-7(6)11)13-10(2,3)12-8/h4-5H,1-3H3
InChIKeyUEXBPJOCWUYFNV-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.64
Rot. Bonds

About 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole

5-fluoro-2,2,6-trimethyl-1,3-benzodioxole (PubChem CID 22955941) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-fluoro-2,2,6-trimethyl-1,3-benzodioxole
PubChem CID22955941
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-2,2,6-trimethyl-1,3-benzodioxole
SMILESCc1cc2c(cc1F)OC(C)(C)O2
InChIInChI=1S/C10H11FO2/c1-6-4-8-9(5-7(6)11)13-10(2,3)12-8/h4-5H,1-3H3
InChIKeyUEXBPJOCWUYFNV-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Safrole
CID 5144
Isosafrole
CID 637796
Methylisoeugenol
CID 637776
Piperonylidene acetone
CID 6040503
Isoeugenyl methyl ether
CID 1549045
Dihydrosafrole
CID 7197
Methyl isoeugenol
CID 7128
3,4-Dimethoxystyrene
CID 61400
3,4-Dimethoxytoluene
CID 68126
Methyl Piperate
CID 9921021
5-(Diethoxymethyl)-1,3-benzodioxole
CID 95136
Isomyristicin
CID 6436484

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole?
The IUPAC name of 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole (CID 22955941) is 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole.
What is the SMILES notation for 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole?
The canonical SMILES for 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole is Cc1cc2c(cc1F)OC(C)(C)O2.
What is the InChIKey of 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole?
The InChIKey is UEXBPJOCWUYFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-4-8-9(5-7(6)11)13-10(2,3)12-8/h4-5H,1-3H3.
What are the key properties of 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole?
5-fluoro-2,2,6-trimethyl-1,3-benzodioxole has a molecular weight of 182.19 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2,6-trimethyl-1,3-benzodioxole is sourced from PubChem (CID 22955941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).