4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile

C16H9FN6 — CID 19043038

IUPAC4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(F)(c2ccc(C#N)cc2)n2ncnn2)cc1
InChIInChI=1S/C16H9FN6/c17-16(23-21-11-20-22-23,14-5-1-12(9-18)2-6-14)15-7-3-13(10-19)4-8-15/h1-8,11H
InChIKeyPCEBGUWFQJHMRV-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.14
Rot. Bonds3

About 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile

4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile (PubChem CID 19043038) has the molecular formula C16H9FN6 and a molecular weight of 304.29 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile
PubChem CID19043038
Molecular FormulaC16H9FN6
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(F)(c2ccc(C#N)cc2)n2ncnn2)cc1
InChIInChI=1S/C16H9FN6/c17-16(23-21-11-20-22-23,14-5-1-12(9-18)2-6-14)15-7-3-13(10-19)4-8-15/h1-8,11H
InChIKeyPCEBGUWFQJHMRV-UHFFFAOYSA-N
XLogP2.14
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile?
The IUPAC name of 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile (CID 19043038) is 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile is N#Cc1ccc(C(F)(c2ccc(C#N)cc2)n2ncnn2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile?
The InChIKey is PCEBGUWFQJHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN6/c17-16(23-21-11-20-22-23,14-5-1-12(9-18)2-6-14)15-7-3-13(10-19)4-8-15/h1-8,11H.
What are the key properties of 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile?
4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile has a molecular weight of 304.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)-fluoro-(tetrazol-2-yl)methyl]benzonitrile is sourced from PubChem (CID 19043038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).