3-(2-fluoro-3-nitrophenyl)propanoic acid

C9H8FNO4 — CID 107350213

IUPAC3-(2-fluoro-3-nitrophenyl)propanoic acid
SMILESO=C(O)CCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H8FNO4/c10-9-6(4-5-8(12)13)2-1-3-7(9)11(14)15/h1-3H,4-5H2,(H,12,13)
InChIKeyAZJFLXLQTUNWGE-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.75
Rot. Bonds4

About 3-(2-fluoro-3-nitrophenyl)propanoic acid

3-(2-fluoro-3-nitrophenyl)propanoic acid (PubChem CID 107350213) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-(2-fluoro-3-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-nitrophenyl)propanoic acid
PubChem CID107350213
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name3-(2-fluoro-3-nitrophenyl)propanoic acid
SMILESO=C(O)CCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H8FNO4/c10-9-6(4-5-8(12)13)2-1-3-7(9)11(14)15/h1-3H,4-5H2,(H,12,13)
InChIKeyAZJFLXLQTUNWGE-UHFFFAOYSA-N
XLogP1.75
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.75
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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Related Compounds

2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
methyl 3-(2-nitrophenyl)propanoate;3-(2-nitrophenyl)propanoic acid
CID 169232729
2-[2-(2-carboxyethyl)phenyl]sulfanyl-3-nitrobenzoic acid
CID 50852656
2-[4-[(2-fluoro-3-nitrophenyl)methyl]piperazin-1-yl]acetic acid
CID 107350091
1-(3-chloro-3-phenylpropyl)-2-fluoro-3-nitrobenzene
CID 107350532
3-(2,4-dihydroxy-5-nitrophenyl)propanoic acid
CID 112719952
3-[(2-fluoro-3-nitrophenyl)methylsulfonyl]butanoic acid
CID 107349554
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
3-[(2-fluoro-3-nitrophenyl)methylsulfonyl]-2-methylpropanoic acid
CID 107349553

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-nitrophenyl)propanoic acid?
The IUPAC name of 3-(2-fluoro-3-nitrophenyl)propanoic acid (CID 107350213) is 3-(2-fluoro-3-nitrophenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluoro-3-nitrophenyl)propanoic acid?
The canonical SMILES for 3-(2-fluoro-3-nitrophenyl)propanoic acid is O=C(O)CCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 3-(2-fluoro-3-nitrophenyl)propanoic acid?
The InChIKey is AZJFLXLQTUNWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c10-9-6(4-5-8(12)13)2-1-3-7(9)11(14)15/h1-3H,4-5H2,(H,12,13).
What are the key properties of 3-(2-fluoro-3-nitrophenyl)propanoic acid?
3-(2-fluoro-3-nitrophenyl)propanoic acid has a molecular weight of 213.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-nitrophenyl)propanoic acid is sourced from PubChem (CID 107350213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).