3-(2,5-difluoroanilino)-2-methylpropanenitrile

C10H10F2N2 — CID 43367507

IUPAC3-(2,5-difluoroanilino)-2-methylpropanenitrile
SMILESCC(C#N)CNc1cc(F)ccc1F
InChIInChI=1S/C10H10F2N2/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,14H,6H2,1H3
InChIKeyNSQHXKNQYLSYAN-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.54
Rot. Bonds3

About 3-(2,5-difluoroanilino)-2-methylpropanenitrile

3-(2,5-difluoroanilino)-2-methylpropanenitrile (PubChem CID 43367507) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(2,5-difluoroanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2,5-difluoroanilino)-2-methylpropanenitrile
PubChem CID43367507
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name3-(2,5-difluoroanilino)-2-methylpropanenitrile
SMILESCC(C#N)CNc1cc(F)ccc1F
InChIInChI=1S/C10H10F2N2/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,14H,6H2,1H3
InChIKeyNSQHXKNQYLSYAN-UHFFFAOYSA-N
XLogP2.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylpropanenitrile
CID 61228431
3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
methyl 2-[(2,5-difluoroanilino)methyl]-3-methylbutanoate
CID 115253297
3-(4-chloro-3-fluoroanilino)-2-methylpropanenitrile
CID 61466785
2,5-difluoro-N-(3-methylbutan-2-yl)aniline
CID 43192572
2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
CID 115255614
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
CID 103760986
2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoroanilino)-2-methylpropanenitrile?
The IUPAC name of 3-(2,5-difluoroanilino)-2-methylpropanenitrile (CID 43367507) is 3-(2,5-difluoroanilino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2,5-difluoroanilino)-2-methylpropanenitrile?
The canonical SMILES for 3-(2,5-difluoroanilino)-2-methylpropanenitrile is CC(C#N)CNc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluoroanilino)-2-methylpropanenitrile?
The InChIKey is NSQHXKNQYLSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,14H,6H2,1H3.
What are the key properties of 3-(2,5-difluoroanilino)-2-methylpropanenitrile?
3-(2,5-difluoroanilino)-2-methylpropanenitrile has a molecular weight of 196.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoroanilino)-2-methylpropanenitrile is sourced from PubChem (CID 43367507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).