2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile

C10H11FN2 — CID 67545496

IUPAC2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(N)cc1F
InChIInChI=1S/C10H11FN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,13H2,1-2H3
InChIKeyRBFJJKNOGRKFHN-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.21
Rot. Bonds1

About 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile

2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile (PubChem CID 67545496) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile
PubChem CID67545496
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(N)cc1F
InChIInChI=1S/C10H11FN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,13H2,1-2H3
InChIKeyRBFJJKNOGRKFHN-UHFFFAOYSA-N
XLogP2.21
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile (CID 67545496) is 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile?
The InChIKey is RBFJJKNOGRKFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,13H2,1-2H3.
What are the key properties of 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile?
2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile has a molecular weight of 178.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 67545496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).