2-(2-fluoro-5-nitrophenyl)propanoic acid

C9H8FNO4 — CID 13388010

IUPAC2-(2-fluoro-5-nitrophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FNO4/c1-5(9(12)13)7-4-6(11(14)15)2-3-8(7)10/h2-5H,1H3,(H,12,13)
InChIKeyNXPBUZZXWABMNF-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-fluoro-5-nitrophenyl)propanoic acid

2-(2-fluoro-5-nitrophenyl)propanoic acid (PubChem CID 13388010) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-(2-fluoro-5-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-nitrophenyl)propanoic acid
PubChem CID13388010
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name2-(2-fluoro-5-nitrophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FNO4/c1-5(9(12)13)7-4-6(11(14)15)2-3-8(7)10/h2-5H,1H3,(H,12,13)
InChIKeyNXPBUZZXWABMNF-UHFFFAOYSA-N
XLogP1.92
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.92
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

methyl 2-(2-fluoro-5-nitrophenyl)propanoate
CID 151047481
2-[2-(chloromethyl)-5-nitrophenyl]propanoic acid
CID 134658394
methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
CID 22590188
2-(2-fluoro-4-nitrophenyl)sulfanylpropanoic acid
CID 43123559
2-(2-fluoro-4-nitrophenyl)-4-methylpentanoic acid
CID 104571746
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
2-(2-fluoro-4-nitrophenyl)pentan-3-one
CID 63549818
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
CID 54991572
(2S)-2-(5-fluoro-2-methyl-4-nitrophenyl)propanoic acid
CID 166471046
ethyl (3S)-3-amino-2-fluoro-3-(2-fluoro-5-nitrophenyl)propanoate
CID 171248340
(1S,2R)-1-amino-1-(2-fluoro-5-nitrophenyl)-5-methylhexan-2-ol
CID 171268398

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-nitrophenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-5-nitrophenyl)propanoic acid (CID 13388010) is 2-(2-fluoro-5-nitrophenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-5-nitrophenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-5-nitrophenyl)propanoic acid is CC(C(=O)O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2-fluoro-5-nitrophenyl)propanoic acid?
The InChIKey is NXPBUZZXWABMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c1-5(9(12)13)7-4-6(11(14)15)2-3-8(7)10/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(2-fluoro-5-nitrophenyl)propanoic acid?
2-(2-fluoro-5-nitrophenyl)propanoic acid has a molecular weight of 213.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-nitrophenyl)propanoic acid is sourced from PubChem (CID 13388010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).