(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid

C9H8FNO4 — CID 131301299

IUPAC(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H8FNO4/c1-5(9(12)13)6-2-3-8(11(14)15)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyGALSVFOXBFKMEG-RXMQYKEDSA-N
MW213.16 g/mol
LogP1.92
Rot. Bonds3

About (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid

(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid (PubChem CID 131301299) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid
PubChem CID131301299
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H8FNO4/c1-5(9(12)13)6-2-3-8(11(14)15)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyGALSVFOXBFKMEG-RXMQYKEDSA-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

3-(3-fluoro-4-nitrophenyl)butan-2-one
CID 70847643
(2S)-2-(4-amino-3-nitrophenyl)propanoic acid
CID 95732360
2-(2,6-difluoro-3-nitrophenyl)propanoic acid
CID 57371352
(2S)-2-(5-fluoro-2-methyl-4-nitrophenyl)propanoic acid
CID 166471046
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
(2S)-2-[(3-fluoro-4-nitrophenyl)methylamino]propanoic acid
CID 83194383
1-phenylethyl 3-fluoro-4-nitrobenzoate
CID 63840475
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 82846398
ethyl 2-(3-fluoro-4-nitrophenyl)-3-oxopropanoate
CID 143519036
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 82844659
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
3-(3-fluoro-4-nitrophenoxy)butanoic acid
CID 115000279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid (CID 131301299) is (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid is C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid?
The InChIKey is GALSVFOXBFKMEG-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8FNO4/c1-5(9(12)13)6-2-3-8(11(14)15)7(10)4-6/h2-5H,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid?
(2R)-2-(3-fluoro-4-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 (2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid is sourced from PubChem (CID 131301299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).