2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole

C11H12F2O2 — CID 167678382

IUPAC2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole
SMILESCCCc1ccc2c(c1C)OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-3-4-8-5-6-9-10(7(8)2)15-11(12,13)14-9/h5-6H,3-4H2,1-2H3
InChIKeyASINKDPREBOCHI-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.27
Rot. Bonds2

About 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole

2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole (PubChem CID 167678382) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole
PubChem CID167678382
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole
SMILESCCCc1ccc2c(c1C)OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-3-4-8-5-6-9-10(7(8)2)15-11(12,13)14-9/h5-6H,3-4H2,1-2H3
InChIKeyASINKDPREBOCHI-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,2-difluoro-1,3-benzodioxol-5-amine;2,2-difluoro-4-methyl-1,3-benzodioxol-5-amine;5-ethyl-2,2-difluoro-4-methyl-1,3-benzodioxole;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 167618657
bis(2,2-difluoro-4-methyl-1,3-benzodioxol-5-yl)methanone
CID 154169130
4,7-diethyl-2,2-difluoro-1,3-benzodioxole
CID 70835878
4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
CID 90686715
N,4-diethyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 167259987
4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
CID 123559442
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
ethyl 5-amino-2,2-difluoro-1,3-benzodioxole-4-carboxylate
CID 167740632
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
CID 11074155
3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 10867678
5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
CID 123504727

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole (CID 167678382) is 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole is CCCc1ccc2c(c1C)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole?
The InChIKey is ASINKDPREBOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-4-8-5-6-9-10(7(8)2)15-11(12,13)14-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole?
2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole has a molecular weight of 214.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole is sourced from PubChem (CID 167678382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).