3-fluoro-4-nitrophenol

C6H4FNO3 — CID 520948

IUPAC3-fluoro-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1F
InChIInChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChIKeyCSSGKHVRDGATJL-UHFFFAOYSA-N
MW157.10 g/mol
LogP1.44
Rot. Bonds1

About 3-fluoro-4-nitrophenol

3-fluoro-4-nitrophenol (PubChem CID 520948) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is 3-fluoro-4-nitrophenol.

Molecular Properties

Compound Name3-fluoro-4-nitrophenol
PubChem CID520948
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Name3-fluoro-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1F
InChIInChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChIKeyCSSGKHVRDGATJL-UHFFFAOYSA-N
XLogP1.44
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitrophenol?
The IUPAC name of 3-fluoro-4-nitrophenol (CID 520948) is 3-fluoro-4-nitrophenol.
What is the SMILES notation for 3-fluoro-4-nitrophenol?
The canonical SMILES for 3-fluoro-4-nitrophenol is O=[N+]([O-])c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-nitrophenol?
The InChIKey is CSSGKHVRDGATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H.
What are the key properties of 3-fluoro-4-nitrophenol?
3-fluoro-4-nitrophenol has a molecular weight of 157.10 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitrophenol is sourced from PubChem (CID 520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).