methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate

C16H10F2N2O6 — CID 89201211

IUPACmethyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate
SMILESCOC(=O)c1cc(F)cc(N=O)c1-c1c(N=O)cc(F)cc1C(=O)OC
InChIInChI=1S/C16H10F2N2O6/c1-25-15(21)9-3-7(17)5-11(19-23)13(9)14-10(16(22)26-2)4-8(18)6-12(14)20-24/h3-6H,1-2H3
InChIKeyAXKDZJBSWGXAFI-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.00
Rot. Bonds5

About methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate

methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate (PubChem CID 89201211) has the molecular formula C16H10F2N2O6 and a molecular weight of 364.26 g/mol. Its IUPAC name is methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate
PubChem CID89201211
Molecular FormulaC16H10F2N2O6
Molecular Weight364.26 g/mol
Exact Mass364.05
IUPAC Namemethyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate
SMILESCOC(=O)c1cc(F)cc(N=O)c1-c1c(N=O)cc(F)cc1C(=O)OC
InChIInChI=1S/C16H10F2N2O6/c1-25-15(21)9-3-7(17)5-11(19-23)13(9)14-10(16(22)26-2)4-8(18)6-12(14)20-24/h3-6H,1-2H3
InChIKeyAXKDZJBSWGXAFI-UHFFFAOYSA-N
XLogP4.00
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-fluoro-2-nitrosobenzoate
CID 142433030
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 2,5-difluoro-4-nitrosobenzoate
CID 145120849
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 2,4-diamino-3-fluoro-5-nitrosobenzoate
CID 90693301
methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 3,5-difluorobenzoate
CID 2775360
(2-chloro-5-fluoro-3-methoxycarbonylphenyl)boronic acid
CID 164891137
methyl 2-(chloromethyl)-3,5-difluorobenzoate
CID 130996500

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate?
The IUPAC name of methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate (CID 89201211) is methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate.
What is the SMILES notation for methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate?
The canonical SMILES for methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate is COC(=O)c1cc(F)cc(N=O)c1-c1c(N=O)cc(F)cc1C(=O)OC.
What is the InChIKey of methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate?
The InChIKey is AXKDZJBSWGXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O6/c1-25-15(21)9-3-7(17)5-11(19-23)13(9)14-10(16(22)26-2)4-8(18)6-12(14)20-24/h3-6H,1-2H3.
What are the key properties of methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate?
methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate has a molecular weight of 364.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate is sourced from PubChem (CID 89201211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).