2-fluoro-4-(nitrosomethyl)benzonitrile

C8H5FN2O — CID 123142497

IUPAC2-fluoro-4-(nitrosomethyl)benzonitrile
SMILESN#Cc1ccc(CN=O)cc1F
InChIInChI=1S/C8H5FN2O/c9-8-3-6(5-11-12)1-2-7(8)4-10/h1-3H,5H2
InChIKeyLCQKRNNYQULUGI-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.96
Rot. Bonds2

About 2-fluoro-4-(nitrosomethyl)benzonitrile

2-fluoro-4-(nitrosomethyl)benzonitrile (PubChem CID 123142497) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-fluoro-4-(nitrosomethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(nitrosomethyl)benzonitrile
PubChem CID123142497
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-fluoro-4-(nitrosomethyl)benzonitrile
SMILESN#Cc1ccc(CN=O)cc1F
InChIInChI=1S/C8H5FN2O/c9-8-3-6(5-11-12)1-2-7(8)4-10/h1-3H,5H2
InChIKeyLCQKRNNYQULUGI-UHFFFAOYSA-N
XLogP1.96
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(nitrosomethyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(nitrosomethyl)benzonitrile (CID 123142497) is 2-fluoro-4-(nitrosomethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(nitrosomethyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(nitrosomethyl)benzonitrile is N#Cc1ccc(CN=O)cc1F.
What is the InChIKey of 2-fluoro-4-(nitrosomethyl)benzonitrile?
The InChIKey is LCQKRNNYQULUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-8-3-6(5-11-12)1-2-7(8)4-10/h1-3H,5H2.
What are the key properties of 2-fluoro-4-(nitrosomethyl)benzonitrile?
2-fluoro-4-(nitrosomethyl)benzonitrile has a molecular weight of 164.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(nitrosomethyl)benzonitrile is sourced from PubChem (CID 123142497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).