2-(3-fluoro-4-nitrophenyl)acetic acid

C8H6FNO4 — CID 2774665

IUPAC2-(3-fluoro-4-nitrophenyl)acetic acid
SMILESO=C(O)Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C8H6FNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKeyBRWLAOKLDCMHIC-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-fluoro-4-nitrophenyl)acetic acid

2-(3-fluoro-4-nitrophenyl)acetic acid (PubChem CID 2774665) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is 2-(3-fluoro-4-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-nitrophenyl)acetic acid
PubChem CID2774665
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Name2-(3-fluoro-4-nitrophenyl)acetic acid
SMILESO=C(O)Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C8H6FNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKeyBRWLAOKLDCMHIC-UHFFFAOYSA-N
XLogP1.36
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.36
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-(3-fluoro-4-nitrophenyl)acetic acid?
The IUPAC name of 2-(3-fluoro-4-nitrophenyl)acetic acid (CID 2774665) is 2-(3-fluoro-4-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-4-nitrophenyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-4-nitrophenyl)acetic acid is O=C(O)Cc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-nitrophenyl)acetic acid?
The InChIKey is BRWLAOKLDCMHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(3-fluoro-4-nitrophenyl)acetic acid?
2-(3-fluoro-4-nitrophenyl)acetic acid has a molecular weight of 199.14 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-nitrophenyl)acetic acid is sourced from PubChem (CID 2774665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).