2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile

C11H8F2N2 — CID 116840602

IUPAC2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2ccccc2c1C(F)(F)C#N
InChIInChI=1S/C11H8F2N2/c1-7-10(11(12,13)6-14)8-4-2-3-5-9(8)15-7/h2-5,15H,1H3
InChIKeyRBTGRAGDCVCQRS-UHFFFAOYSA-N
MW206.19 g/mol
LogP3.09
Rot. Bonds1

About 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile

2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile (PubChem CID 116840602) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
PubChem CID116840602
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2ccccc2c1C(F)(F)C#N
InChIInChI=1S/C11H8F2N2/c1-7-10(11(12,13)6-14)8-4-2-3-5-9(8)15-7/h2-5,15H,1H3
InChIKeyRBTGRAGDCVCQRS-UHFFFAOYSA-N
XLogP3.09
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
CID 115129151
3-methyl-1H-indole-2-carbonitrile
CID 593371
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2-methyl-3-(4-methyl-1,3-diphenylpent-1-yn-3-yl)-1H-indole
CID 50924836
2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113211632

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile (CID 116840602) is 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile is Cc1[nH]c2ccccc2c1C(F)(F)C#N.
What is the InChIKey of 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile?
The InChIKey is RBTGRAGDCVCQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-7-10(11(12,13)6-14)8-4-2-3-5-9(8)15-7/h2-5,15H,1H3.
What are the key properties of 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile?
2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile has a molecular weight of 206.19 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 116840602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).