1-(3-fluoro-2-nitrosophenyl)ethenol

C8H6FNO2 — CID 89361189

IUPAC1-(3-fluoro-2-nitrosophenyl)ethenol
SMILESC=C(O)c1cccc(F)c1N=O
InChIInChI=1S/C8H6FNO2/c1-5(11)6-3-2-4-7(9)8(6)10-12/h2-4,11H,1H2
InChIKeyAJIGIVGGLGRBIF-UHFFFAOYSA-N
MW167.14 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-fluoro-2-nitrosophenyl)ethenol

1-(3-fluoro-2-nitrosophenyl)ethenol (PubChem CID 89361189) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrosophenyl)ethenol.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrosophenyl)ethenol
PubChem CID89361189
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name1-(3-fluoro-2-nitrosophenyl)ethenol
SMILESC=C(O)c1cccc(F)c1N=O
InChIInChI=1S/C8H6FNO2/c1-5(11)6-3-2-4-7(9)8(6)10-12/h2-4,11H,1H2
InChIKeyAJIGIVGGLGRBIF-UHFFFAOYSA-N
XLogP2.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrosophenyl)ethenol?
The IUPAC name of 1-(3-fluoro-2-nitrosophenyl)ethenol (CID 89361189) is 1-(3-fluoro-2-nitrosophenyl)ethenol.
What is the SMILES notation for 1-(3-fluoro-2-nitrosophenyl)ethenol?
The canonical SMILES for 1-(3-fluoro-2-nitrosophenyl)ethenol is C=C(O)c1cccc(F)c1N=O.
What is the InChIKey of 1-(3-fluoro-2-nitrosophenyl)ethenol?
The InChIKey is AJIGIVGGLGRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-5(11)6-3-2-4-7(9)8(6)10-12/h2-4,11H,1H2.
What are the key properties of 1-(3-fluoro-2-nitrosophenyl)ethenol?
1-(3-fluoro-2-nitrosophenyl)ethenol has a molecular weight of 167.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrosophenyl)ethenol is sourced from PubChem (CID 89361189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).