3-fluoro-4-nitrosobenzonitrile

C7H3FN2O — CID 88884017

IUPAC3-fluoro-4-nitrosobenzonitrile
SMILESN#Cc1ccc(N=O)c(F)c1
InChIInChI=1S/C7H3FN2O/c8-6-3-5(4-9)1-2-7(6)10-11/h1-3H
InChIKeyWOPKXUMMZRMHQW-UHFFFAOYSA-N
MW150.11 g/mol
LogP2.10
Rot. Bonds1

About 3-fluoro-4-nitrosobenzonitrile

3-fluoro-4-nitrosobenzonitrile (PubChem CID 88884017) has the molecular formula C7H3FN2O and a molecular weight of 150.11 g/mol. Its IUPAC name is 3-fluoro-4-nitrosobenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-nitrosobenzonitrile
PubChem CID88884017
Molecular FormulaC7H3FN2O
Molecular Weight150.11 g/mol
Exact Mass150.02
IUPAC Name3-fluoro-4-nitrosobenzonitrile
SMILESN#Cc1ccc(N=O)c(F)c1
InChIInChI=1S/C7H3FN2O/c8-6-3-5(4-9)1-2-7(6)10-11/h1-3H
InChIKeyWOPKXUMMZRMHQW-UHFFFAOYSA-N
XLogP2.10
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-iodobenzonitrile
CID 24721521
4-amino-3-fluorobenzonitrile;methane
CID 174516091
4-cyano-2-fluorobenzoyl fluoride
CID 11469289
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
CID 89267275
3-fluoro-4-(phosphorosomethyl)benzonitrile
CID 21336694
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-fluoro-3-methylbenzonitrile
CID 2779180
2-(4-cyano-2-fluorophenyl)sulfanylacetamide
CID 130160378
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
4-(difluoromethoxymethyl)-3-fluorobenzonitrile
CID 163276095
N-(4-cyano-2-fluorophenyl)methanesulfinamide
CID 130948795

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitrosobenzonitrile?
The IUPAC name of 3-fluoro-4-nitrosobenzonitrile (CID 88884017) is 3-fluoro-4-nitrosobenzonitrile.
What is the SMILES notation for 3-fluoro-4-nitrosobenzonitrile?
The canonical SMILES for 3-fluoro-4-nitrosobenzonitrile is N#Cc1ccc(N=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-nitrosobenzonitrile?
The InChIKey is WOPKXUMMZRMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O/c8-6-3-5(4-9)1-2-7(6)10-11/h1-3H.
What are the key properties of 3-fluoro-4-nitrosobenzonitrile?
3-fluoro-4-nitrosobenzonitrile has a molecular weight of 150.11 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitrosobenzonitrile is sourced from PubChem (CID 88884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).