2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile

C11H8F2N2 — CID 116840601

IUPAC2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
SMILESCn1cc(C(F)(F)C#N)c2ccccc21
InChIInChI=1S/C11H8F2N2/c1-15-6-9(11(12,13)7-14)8-4-2-3-5-10(8)15/h2-6H,1H3
InChIKeyCBEPXUQCZWONGC-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.79
Rot. Bonds1

About 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile

2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile (PubChem CID 116840601) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
PubChem CID116840601
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
SMILESCn1cc(C(F)(F)C#N)c2ccccc21
InChIInChI=1S/C11H8F2N2/c1-15-6-9(11(12,13)7-14)8-4-2-3-5-10(8)15/h2-6H,1H3
InChIKeyCBEPXUQCZWONGC-UHFFFAOYSA-N
XLogP2.79
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
CID 132839182
3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
CID 102130704
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
CID 116955721
3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
CID 91045612
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312
3-bromo-1-methylindole
CID 13357736
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile?
The IUPAC name of 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile (CID 116840601) is 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile.
What is the SMILES notation for 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile?
The canonical SMILES for 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile is Cn1cc(C(F)(F)C#N)c2ccccc21.
What is the InChIKey of 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile?
The InChIKey is CBEPXUQCZWONGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-15-6-9(11(12,13)7-14)8-4-2-3-5-10(8)15/h2-6H,1H3.
What are the key properties of 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile?
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile has a molecular weight of 206.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile is sourced from PubChem (CID 116840601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).