5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole

C11H12F2O2 — CID 116841335

IUPAC5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole
SMILESCCC(F)(F)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H12F2O2/c1-3-11(12,13)8-5-10-9(4-7(8)2)14-6-15-10/h4-5H,3,6H2,1-2H3
InChIKeyWTXKSPYLZIZYFC-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.23
Rot. Bonds2

About 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole

5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole (PubChem CID 116841335) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole
PubChem CID116841335
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole
SMILESCCC(F)(F)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H12F2O2/c1-3-11(12,13)8-5-10-9(4-7(8)2)14-6-15-10/h4-5H,3,6H2,1-2H3
InChIKeyWTXKSPYLZIZYFC-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-4-(6-methyl-1,3-benzodioxol-5-yl)butanenitrile
CID 116840956
4-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diol
CID 116861636
N-(bromomethyl)-2-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 115262635
1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
5-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3-benzodioxole
CID 164535841
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
2-(6-chloro-1,3-benzodioxol-5-yl)-2,2-difluoroethanol
CID 105424288
5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
CID 84710382
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 84692547
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
CID 105424287
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]propan-2-ol
CID 117353229
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]ethanamine
CID 84689779

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole?
The IUPAC name of 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole (CID 116841335) is 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole.
What is the SMILES notation for 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole?
The canonical SMILES for 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole is CCC(F)(F)c1cc2c(cc1C)OCO2.
What is the InChIKey of 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole?
The InChIKey is WTXKSPYLZIZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-11(12,13)8-5-10-9(4-7(8)2)14-6-15-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole?
5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole has a molecular weight of 214.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole is sourced from PubChem (CID 116841335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).