methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate

C12H13FN2O5 — CID 78926230

IUPACmethyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccc([N+](=O)[O-])cc2F)CCO1
InChIInChI=1S/C12H13FN2O5/c1-19-12(16)11-7-14(4-5-20-11)10-3-2-8(15(17)18)6-9(10)13/h2-3,6,11H,4-5,7H2,1H3
InChIKeyGPSWUWLMGUQYGI-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.11
Rot. Bonds3

About methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate

methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate (PubChem CID 78926230) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate
PubChem CID78926230
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Namemethyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccc([N+](=O)[O-])cc2F)CCO1
InChIInChI=1S/C12H13FN2O5/c1-19-12(16)11-7-14(4-5-20-11)10-3-2-8(15(17)18)6-9(10)13/h2-3,6,11H,4-5,7H2,1H3
InChIKeyGPSWUWLMGUQYGI-UHFFFAOYSA-N
XLogP1.11
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3-nitrophenyl)morpholine-2-carboxylate
CID 78926285
methyl 4-(4-carbamothioyl-2-fluorophenyl)morpholine-2-carboxylate
CID 115534891
methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
CID 78926201
1-(2-fluoro-4-nitrophenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228417
methyl 4-(3-methoxy-4-nitrophenyl)morpholine-2-carboxylate
CID 79033453
3-(dimethoxymethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidine
CID 176705419
methyl 4-(2-chloro-4-cyanophenyl)morpholine-2-carboxylate
CID 115534640
methyl 2-[4-(2-bromo-4-nitrophenyl)morpholin-2-yl]acetate
CID 79764169
[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 91380231
1-(2-fluoro-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 91283730
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
methyl 4-(1-methyl-4-nitropyrrole-2-carbonyl)morpholine-2-carboxylate
CID 78926914

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate (CID 78926230) is methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate is COC(=O)C1CN(c2ccc([N+](=O)[O-])cc2F)CCO1.
What is the InChIKey of methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate?
The InChIKey is GPSWUWLMGUQYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c1-19-12(16)11-7-14(4-5-20-11)10-3-2-8(15(17)18)6-9(10)13/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate?
methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate has a molecular weight of 284.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).