methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate

C9H8FNO5 — CID 22590188

IUPACmethyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FNO5/c1-16-9(13)8(12)6-4-5(11(14)15)2-3-7(6)10/h2-4,8,12H,1H3
InChIKeyFIOZSMQFEUJIDL-UHFFFAOYSA-N
MW229.16 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate

methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate (PubChem CID 22590188) has the molecular formula C9H8FNO5 and a molecular weight of 229.16 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
PubChem CID22590188
Molecular FormulaC9H8FNO5
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Namemethyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H8FNO5/c1-16-9(13)8(12)6-4-5(11(14)15)2-3-7(6)10/h2-4,8,12H,1H3
InChIKeyFIOZSMQFEUJIDL-UHFFFAOYSA-N
XLogP0.94
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
methyl 2-(3-fluoro-2-hydroxy-5-nitrophenyl)-2-hydroxyacetate
CID 117364125
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
2-(2-fluoro-5-nitrophenyl)propanoic acid
CID 13388010
ethyl (3S)-3-amino-2-fluoro-3-(2-fluoro-5-nitrophenyl)propanoate
CID 171248340
methyl 2-(2-fluoro-5-nitroanilino)butanoate
CID 113292447
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2S)-2-amino-2-(2-chloro-5-nitrophenyl)acetate
CID 171206781
dimethyl 2-(2,4-dinitrophenyl)propanedioate
CID 3744583
methyl (2R)-2-amino-2-(2-chloro-5-nitrophenyl)acetate;hydrochloride
CID 171226356
(1S,2R)-1-amino-1-(2-fluoro-5-nitrophenyl)-5-methylhexan-2-ol
CID 171268398
(1S)-2,2,2-trifluoro-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 66511161

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate (CID 22590188) is methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate?
The InChIKey is FIOZSMQFEUJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO5/c1-16-9(13)8(12)6-4-5(11(14)15)2-3-7(6)10/h2-4,8,12H,1H3.
What are the key properties of methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate?
methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate has a molecular weight of 229.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate is sourced from PubChem (CID 22590188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).