2-benzyl-5-fluorobenzonitrile

C14H10FN — CID 166114436

IUPAC2-benzyl-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Cc1ccccc1
InChIInChI=1S/C14H10FN/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyKSOQJAGRWYSJMH-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.29
Rot. Bonds2

About 2-benzyl-5-fluorobenzonitrile

2-benzyl-5-fluorobenzonitrile (PubChem CID 166114436) has the molecular formula C14H10FN and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-benzyl-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-benzyl-5-fluorobenzonitrile
PubChem CID166114436
Molecular FormulaC14H10FN
Molecular Weight211.24 g/mol
Exact Mass211.08
IUPAC Name2-benzyl-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Cc1ccccc1
InChIInChI=1S/C14H10FN/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyKSOQJAGRWYSJMH-UHFFFAOYSA-N
XLogP3.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-aminoethyl(benzyl)amino]methyl]-5-fluorobenzonitrile
CID 106511586
2-(cyanomethyl)-5-fluorobenzonitrile
CID 45090709
5-fluoro-2-(2,2,2-trifluoroethyl)benzonitrile
CID 91883243
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
(2-cyano-4-fluorophenyl)methylcarbamic acid
CID 67439404
2-[[benzyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760548
5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
CID 142157739
2-[[benzyl(propan-2-yl)amino]methyl]-4-fluorobenzonitrile
CID 103760606
5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 70686743
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
2-(2-chloroethyl)-5-fluorobenzonitrile;5-fluoro-2-(2-hydroxyethyl)benzonitrile
CID 160528574

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluorobenzonitrile?
The IUPAC name of 2-benzyl-5-fluorobenzonitrile (CID 166114436) is 2-benzyl-5-fluorobenzonitrile.
What is the SMILES notation for 2-benzyl-5-fluorobenzonitrile?
The canonical SMILES for 2-benzyl-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-fluorobenzonitrile?
The InChIKey is KSOQJAGRWYSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9H,8H2.
What are the key properties of 2-benzyl-5-fluorobenzonitrile?
2-benzyl-5-fluorobenzonitrile has a molecular weight of 211.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluorobenzonitrile is sourced from PubChem (CID 166114436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).