4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole

C10H10F2O2 — CID 123559442

IUPAC4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
SMILESCCc1ccc(C)c2c1OC(F)(F)O2
InChIInChI=1S/C10H10F2O2/c1-3-7-5-4-6(2)8-9(7)14-10(11,12)13-8/h4-5H,3H2,1-2H3
InChIKeyMLXPYXMDUFGONK-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.88
Rot. Bonds1

About 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole

4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole (PubChem CID 123559442) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
PubChem CID123559442
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
SMILESCCc1ccc(C)c2c1OC(F)(F)O2
InChIInChI=1S/C10H10F2O2/c1-3-7-5-4-6(2)8-9(7)14-10(11,12)13-8/h4-5H,3H2,1-2H3
InChIKeyMLXPYXMDUFGONK-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
CID 123504727
2,2-difluoro-4-methyl-5-propyl-1,3-benzodioxole
CID 167678382
4,7-dimethyl-1,3-benzodioxole-2,2-diamine
CID 163487863
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
4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane
CID 144634399
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1,2-diethyl-3,4-dimethylbenzene
CID 590292
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436
1,4-diethyl-2-methylbenzene;ethane
CID 158451617

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole?
The IUPAC name of 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole (CID 123559442) is 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole.
What is the SMILES notation for 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole?
The canonical SMILES for 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole is CCc1ccc(C)c2c1OC(F)(F)O2.
What is the InChIKey of 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole?
The InChIKey is MLXPYXMDUFGONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-3-7-5-4-6(2)8-9(7)14-10(11,12)13-8/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole?
4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole has a molecular weight of 200.18 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole is sourced from PubChem (CID 123559442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).