2-(2-fluoro-4-nitrophenyl)ethanol

C8H8FNO3 — CID 86672158

IUPAC2-(2-fluoro-4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(CCO)c(F)c1
InChIInChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKeyMVVPCXHRMBDTBV-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-fluoro-4-nitrophenyl)ethanol

2-(2-fluoro-4-nitrophenyl)ethanol (PubChem CID 86672158) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)ethanol
PubChem CID86672158
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-(2-fluoro-4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(CCO)c(F)c1
InChIInChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKeyMVVPCXHRMBDTBV-UHFFFAOYSA-N
XLogP1.27
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.27
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 2-(2-fluoro-4-nitrophenyl)ethanol?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)ethanol (CID 86672158) is 2-(2-fluoro-4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(CCO)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)ethanol?
The InChIKey is MVVPCXHRMBDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2.
What are the key properties of 2-(2-fluoro-4-nitrophenyl)ethanol?
2-(2-fluoro-4-nitrophenyl)ethanol has a molecular weight of 185.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)ethanol is sourced from PubChem (CID 86672158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).