4,6-difluoro-2,3,3-trimethylindole

C11H11F2N — CID 59422472

IUPAC4,6-difluoro-2,3,3-trimethylindole
SMILESCC1=Nc2cc(F)cc(F)c2C1(C)C
InChIInChI=1S/C11H11F2N/c1-6-11(2,3)10-8(13)4-7(12)5-9(10)14-6/h4-5H,1-3H3
InChIKeyLWDDHYAWPUFCFB-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.35
Rot. Bonds

About 4,6-difluoro-2,3,3-trimethylindole

4,6-difluoro-2,3,3-trimethylindole (PubChem CID 59422472) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,6-difluoro-2,3,3-trimethylindole.

Molecular Properties

Compound Name4,6-difluoro-2,3,3-trimethylindole
PubChem CID59422472
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4,6-difluoro-2,3,3-trimethylindole
SMILESCC1=Nc2cc(F)cc(F)c2C1(C)C
InChIInChI=1S/C11H11F2N/c1-6-11(2,3)10-8(13)4-7(12)5-9(10)14-6/h4-5H,1-3H3
InChIKeyLWDDHYAWPUFCFB-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3H-Indole, 2,3,3-trimethyl-
CID 15427
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
CID 79454
2,3,3-Trimethyl-3H-indol-5-amine
CID 594548
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
3H-Indole, 3,3-dimethyl-2-phenyl-
CID 138796
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
3-(1,2,3,4-tetrahydro-4aH-carbazol-4a-yl)propanenitrile
CID 2826978
3,3-dimethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]indole
CID 71656293
3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
CID 71739817
3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
CID 71739819
1,2,3,3-tetramethyl-6-(trifluoromethyl)-3H-indolium
CID 2729410
3,3-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]indole
CID 71739689

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3,3-trimethylindole?
The IUPAC name of 4,6-difluoro-2,3,3-trimethylindole (CID 59422472) is 4,6-difluoro-2,3,3-trimethylindole.
What is the SMILES notation for 4,6-difluoro-2,3,3-trimethylindole?
The canonical SMILES for 4,6-difluoro-2,3,3-trimethylindole is CC1=Nc2cc(F)cc(F)c2C1(C)C.
What is the InChIKey of 4,6-difluoro-2,3,3-trimethylindole?
The InChIKey is LWDDHYAWPUFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-6-11(2,3)10-8(13)4-7(12)5-9(10)14-6/h4-5H,1-3H3.
What are the key properties of 4,6-difluoro-2,3,3-trimethylindole?
4,6-difluoro-2,3,3-trimethylindole has a molecular weight of 195.21 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3,3-trimethylindole is sourced from PubChem (CID 59422472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).