2-(2,6-difluoroanilino)-3-methylbutanenitrile

C11H12F2N2 — CID 82126738

IUPAC2-(2,6-difluoroanilino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2/c1-7(2)10(6-14)15-11-8(12)4-3-5-9(11)13/h3-5,7,10,15H,1-2H3
InChIKeyBKNQGCWAHOSIPU-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,6-difluoroanilino)-3-methylbutanenitrile

2-(2,6-difluoroanilino)-3-methylbutanenitrile (PubChem CID 82126738) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-3-methylbutanenitrile
PubChem CID82126738
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2,6-difluoroanilino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2/c1-7(2)10(6-14)15-11-8(12)4-3-5-9(11)13/h3-5,7,10,15H,1-2H3
InChIKeyBKNQGCWAHOSIPU-UHFFFAOYSA-N
XLogP2.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
CID 77028561
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254735
2-(2,6-difluorobenzoyl)-3-methylbutanenitrile
CID 61311256
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2,6-difluoro-N-octan-2-ylaniline
CID 11356906

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-3-methylbutanenitrile?
The IUPAC name of 2-(2,6-difluoroanilino)-3-methylbutanenitrile (CID 82126738) is 2-(2,6-difluoroanilino)-3-methylbutanenitrile.
What is the SMILES notation for 2-(2,6-difluoroanilino)-3-methylbutanenitrile?
The canonical SMILES for 2-(2,6-difluoroanilino)-3-methylbutanenitrile is CC(C)C(C#N)Nc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluoroanilino)-3-methylbutanenitrile?
The InChIKey is BKNQGCWAHOSIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-7(2)10(6-14)15-11-8(12)4-3-5-9(11)13/h3-5,7,10,15H,1-2H3.
What are the key properties of 2-(2,6-difluoroanilino)-3-methylbutanenitrile?
2-(2,6-difluoroanilino)-3-methylbutanenitrile has a molecular weight of 210.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-3-methylbutanenitrile is sourced from PubChem (CID 82126738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).