2-(4-fluoroanilino)hexanenitrile

C12H15FN2 — CID 61352148

IUPAC2-(4-fluoroanilino)hexanenitrile
SMILESCCCCC(C#N)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-2-3-4-12(9-14)15-11-7-5-10(13)6-8-11/h5-8,12,15H,2-4H2,1H3
InChIKeyXKNXGLZOBZWCJV-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-fluoroanilino)hexanenitrile

2-(4-fluoroanilino)hexanenitrile (PubChem CID 61352148) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluoroanilino)hexanenitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)hexanenitrile
PubChem CID61352148
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(4-fluoroanilino)hexanenitrile
SMILESCCCCC(C#N)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-2-3-4-12(9-14)15-11-7-5-10(13)6-8-11/h5-8,12,15H,2-4H2,1H3
InChIKeyXKNXGLZOBZWCJV-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyanopentylamino)benzonitrile
CID 68657806
2-(3-fluoro-5-methylanilino)hexanenitrile
CID 79055054
4-fluoro-N-octan-3-ylaniline
CID 150524995
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-(2-fluoroanilino)heptanenitrile
CID 61005429
2-(4-bromo-3-fluoroanilino)pentanenitrile
CID 175278343
4-fluoro-N-pentan-2-ylaniline
CID 15724808
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
2-(4-bromoanilino)-5-methylsulfanylpentanenitrile
CID 103089133
2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)hexanenitrile?
The IUPAC name of 2-(4-fluoroanilino)hexanenitrile (CID 61352148) is 2-(4-fluoroanilino)hexanenitrile.
What is the SMILES notation for 2-(4-fluoroanilino)hexanenitrile?
The canonical SMILES for 2-(4-fluoroanilino)hexanenitrile is CCCCC(C#N)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)hexanenitrile?
The InChIKey is XKNXGLZOBZWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-2-3-4-12(9-14)15-11-7-5-10(13)6-8-11/h5-8,12,15H,2-4H2,1H3.
What are the key properties of 2-(4-fluoroanilino)hexanenitrile?
2-(4-fluoroanilino)hexanenitrile has a molecular weight of 206.26 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)hexanenitrile is sourced from PubChem (CID 61352148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).