methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate

C10H10FNO6 — CID 176611679

IUPACmethyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate
SMILESCOC(=O)COc1cc(F)c(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO6/c1-17-10(14)5-18-9-3-7(11)6(4-13)2-8(9)12(15)16/h2-3,13H,4-5H2,1H3
InChIKeyISGJKXHBELFWAG-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.78
Rot. Bonds5

About methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate

methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate (PubChem CID 176611679) has the molecular formula C10H10FNO6 and a molecular weight of 259.19 g/mol. Its IUPAC name is methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate
PubChem CID176611679
Molecular FormulaC10H10FNO6
Molecular Weight259.19 g/mol
Exact Mass259.05
IUPAC Namemethyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate
SMILESCOC(=O)COc1cc(F)c(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO6/c1-17-10(14)5-18-9-3-7(11)6(4-13)2-8(9)12(15)16/h2-3,13H,4-5H2,1H3
InChIKeyISGJKXHBELFWAG-UHFFFAOYSA-N
XLogP0.78
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[[2-fluoro-4-(2-methoxy-2-oxoethoxy)-5-nitrophenyl]methyl]piperidine-1-carboxylic acid
CID 22326645
methyl 2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]acetate
CID 126645382
methyl 2-[5-bromo-4-(difluoromethyl)-2-nitrophenoxy]acetate
CID 171809183
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
methyl 2-(2-fluoro-4-formyl-5-nitrophenyl)acetate
CID 171010654
methyl 2-[4-(1-hydroxyethyl)-2-nitrophenoxy]acetate
CID 176611664
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 23523591
2-(5-fluoro-2-nitro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82913819
1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
CID 107260614
methyl 2-[5-(bromomethyl)-2-fluoro-4-nitrophenyl]acetate
CID 171018826

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate?
The IUPAC name of methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate (CID 176611679) is methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate.
What is the SMILES notation for methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate?
The canonical SMILES for methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate is COC(=O)COc1cc(F)c(CO)cc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate?
The InChIKey is ISGJKXHBELFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6/c1-17-10(14)5-18-9-3-7(11)6(4-13)2-8(9)12(15)16/h2-3,13H,4-5H2,1H3.
What are the key properties of methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate?
methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate has a molecular weight of 259.19 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate is sourced from PubChem (CID 176611679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).