2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile

C16H15FN2 — CID 79513658

IUPAC2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
SMILESCc1cc(C)cc(N(C)c2cccc(F)c2C#N)c1
InChIInChI=1S/C16H15FN2/c1-11-7-12(2)9-13(8-11)19(3)16-6-4-5-15(17)14(16)10-18/h4-9H,1-3H3
InChIKeyRFPYVJORRWHUBG-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.08
Rot. Bonds2

About 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile

2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile (PubChem CID 79513658) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
PubChem CID79513658
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
SMILESCc1cc(C)cc(N(C)c2cccc(F)c2C#N)c1
InChIInChI=1S/C16H15FN2/c1-11-7-12(2)9-13(8-11)19(3)16-6-4-5-15(17)14(16)10-18/h4-9H,1-3H3
InChIKeyRFPYVJORRWHUBG-UHFFFAOYSA-N
XLogP4.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile?
The IUPAC name of 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile (CID 79513658) is 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile is Cc1cc(C)cc(N(C)c2cccc(F)c2C#N)c1.
What is the InChIKey of 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile?
The InChIKey is RFPYVJORRWHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-7-12(2)9-13(8-11)19(3)16-6-4-5-15(17)14(16)10-18/h4-9H,1-3H3.
What are the key properties of 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile?
2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile is sourced from PubChem (CID 79513658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).