2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole

C11H12F2O2 — CID 22890491

IUPAC2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
SMILESCC(C)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9/h3-4,6-7H,5H2,1-2H3
InChIKeyJLOQVKAFHAVVFQ-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.21
Rot. Bonds2

About 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole

2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole (PubChem CID 22890491) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
PubChem CID22890491
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
SMILESCC(C)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9/h3-4,6-7H,5H2,1-2H3
InChIKeyJLOQVKAFHAVVFQ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
CID 133082521
N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methylpropan-2-amine
CID 20687175
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116998259
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
CID 142063665
5-(2-bromoethyl)-2,2-difluoro-1,3-benzodioxole
CID 131002530
6-(2-methylpropyl)-1,4-benzodioxine
CID 57144989
(2,2-difluoro-1,3-benzodioxol-5-yl)methyl methanesulfonate
CID 118084149
2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;2,2-difluoro-5-methyl-1,3-benzodioxole
CID 91066523
2,2-difluoro-5-pentan-2-yl-1,3-benzodioxole
CID 134360540
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929926
5-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-2,2-dicarboxylic acid
CID 139706179
CID 169149591
CID 169149591

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole (CID 22890491) is 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole is CC(C)Cc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole?
The InChIKey is JLOQVKAFHAVVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(2)5-8-3-4-9-10(6-8)15-11(12,13)14-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole?
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole has a molecular weight of 214.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole is sourced from PubChem (CID 22890491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).