2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile

C10H10F2N2 — CID 130059435

IUPAC2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
SMILESCc1cc(F)c(C(C)(N)C#N)cc1F
InChIInChI=1S/C10H10F2N2/c1-6-3-9(12)7(4-8(6)11)10(2,14)5-13/h3-4H,14H2,1-2H3
InChIKeyWQTUKONYHXZPDI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile

2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile (PubChem CID 130059435) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
PubChem CID130059435
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
SMILESCc1cc(F)c(C(C)(N)C#N)cc1F
InChIInChI=1S/C10H10F2N2/c1-6-3-9(12)7(4-8(6)11)10(2,14)5-13/h3-4H,14H2,1-2H3
InChIKeyWQTUKONYHXZPDI-UHFFFAOYSA-N
XLogP1.97
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130714816
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile
CID 130778686
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
2-(4-chloro-2,5-difluorophenyl)-2-methylpropanenitrile
CID 84784282
2-(4-chloro-5-fluoro-2-methylphenyl)-2-methylpropanenitrile
CID 84782008
(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
CID 30123245
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile
CID 82127377

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile?
The IUPAC name of 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile (CID 130059435) is 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile is Cc1cc(F)c(C(C)(N)C#N)cc1F.
What is the InChIKey of 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile?
The InChIKey is WQTUKONYHXZPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-6-3-9(12)7(4-8(6)11)10(2,14)5-13/h3-4H,14H2,1-2H3.
What are the key properties of 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile?
2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile has a molecular weight of 196.20 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile is sourced from PubChem (CID 130059435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).