2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile

C12H14FN — CID 84771971

IUPAC2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile
SMILESCc1ccc(F)c(C(C)(C)C#N)c1C
InChIInChI=1S/C12H14FN/c1-8-5-6-10(13)11(9(8)2)12(3,4)7-14/h5-6H,1-4H3
InChIKeyFVUISUASWMYKSS-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.24
Rot. Bonds1

About 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile

2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile (PubChem CID 84771971) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile
PubChem CID84771971
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile
SMILESCc1ccc(F)c(C(C)(C)C#N)c1C
InChIInChI=1S/C12H14FN/c1-8-5-6-10(13)11(9(8)2)12(3,4)7-14/h5-6H,1-4H3
InChIKeyFVUISUASWMYKSS-UHFFFAOYSA-N
XLogP3.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile (CID 84771971) is 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile is Cc1ccc(F)c(C(C)(C)C#N)c1C.
What is the InChIKey of 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile?
The InChIKey is FVUISUASWMYKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8-5-6-10(13)11(9(8)2)12(3,4)7-14/h5-6H,1-4H3.
What are the key properties of 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile?
2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile has a molecular weight of 191.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 84771971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).