5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole

C10H10F2O2 — CID 123504727

IUPAC5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
SMILESCCc1cc2c(cc1C)OC(F)(F)O2
InChIInChI=1S/C10H10F2O2/c1-3-7-5-9-8(4-6(7)2)13-10(11,12)14-9/h4-5H,3H2,1-2H3
InChIKeyKTWUHFKVTQAGQT-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.88
Rot. Bonds1

About 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole

5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole (PubChem CID 123504727) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
PubChem CID123504727
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole
SMILESCCc1cc2c(cc1C)OC(F)(F)O2
InChIInChI=1S/C10H10F2O2/c1-3-7-5-9-8(4-6(7)2)13-10(11,12)14-9/h4-5H,3H2,1-2H3
InChIKeyKTWUHFKVTQAGQT-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-ethyl-2,2-difluoro-7-methyl-1,3-benzodioxole
CID 123559442
4,7-diethyl-2,2-difluoro-1,3-benzodioxole
CID 70835878
2,2-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 63422823
4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
CID 90686715
7-ethyl-6-methyl-2,2-dipropyl-3H-chromen-4-one
CID 143805075
ethane;2,2,4-trifluoro-6-methyl-1,3-benzodioxole-5-carboxylic acid
CID 154644840
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione
CID 122413502
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
CID 168908427
6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 145257578

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole?
The IUPAC name of 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole (CID 123504727) is 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole.
What is the SMILES notation for 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole?
The canonical SMILES for 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole is CCc1cc2c(cc1C)OC(F)(F)O2.
What is the InChIKey of 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole?
The InChIKey is KTWUHFKVTQAGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-3-7-5-9-8(4-6(7)2)13-10(11,12)14-9/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole?
5-ethyl-2,2-difluoro-6-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 5-ethyl-2,2-difluoro-6-methyl-1,3-benzodioxole is sourced from PubChem (CID 123504727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).