methyl 2,5-difluoro-4-nitrosobenzoate

C8H5F2NO3 — CID 145120849

IUPACmethyl 2,5-difluoro-4-nitrosobenzoate
SMILESCOC(=O)c1cc(F)c(N=O)cc1F
InChIInChI=1S/C8H5F2NO3/c1-14-8(12)4-2-6(10)7(11-13)3-5(4)9/h2-3H,1H3
InChIKeyIKBTWEILAICIJC-UHFFFAOYSA-N
MW201.13 g/mol
LogP2.15
Rot. Bonds2

About methyl 2,5-difluoro-4-nitrosobenzoate

methyl 2,5-difluoro-4-nitrosobenzoate (PubChem CID 145120849) has the molecular formula C8H5F2NO3 and a molecular weight of 201.13 g/mol. Its IUPAC name is methyl 2,5-difluoro-4-nitrosobenzoate.

Molecular Properties

Compound Namemethyl 2,5-difluoro-4-nitrosobenzoate
PubChem CID145120849
Molecular FormulaC8H5F2NO3
Molecular Weight201.13 g/mol
Exact Mass201.02
IUPAC Namemethyl 2,5-difluoro-4-nitrosobenzoate
SMILESCOC(=O)c1cc(F)c(N=O)cc1F
InChIInChI=1S/C8H5F2NO3/c1-14-8(12)4-2-6(10)7(11-13)3-5(4)9/h2-3H,1H3
InChIKeyIKBTWEILAICIJC-UHFFFAOYSA-N
XLogP2.15
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-2-nitrosobenzoate
CID 142433030
methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate
CID 89201211
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 2,4-diamino-3-fluoro-5-nitrosobenzoate
CID 90693301
methyl 5-(hydroxyamino)-2-nitrosobenzoate
CID 165159917
methyl 4-cyano-2,5-difluorobenzoate;methyl 2,4,5-trifluorobenzoate
CID 66717867
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
methyl 5-[(1Z)-1-chloro-2,3-dimethylbuta-1,3-dienyl]-2-fluoro-4-(methylideneamino)benzoate
CID 166783574
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
methyl 6-fluoro-1,3-benzodioxole-5-carboxylate
CID 166609696

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-difluoro-4-nitrosobenzoate?
The IUPAC name of methyl 2,5-difluoro-4-nitrosobenzoate (CID 145120849) is methyl 2,5-difluoro-4-nitrosobenzoate.
What is the SMILES notation for methyl 2,5-difluoro-4-nitrosobenzoate?
The canonical SMILES for methyl 2,5-difluoro-4-nitrosobenzoate is COC(=O)c1cc(F)c(N=O)cc1F.
What is the InChIKey of methyl 2,5-difluoro-4-nitrosobenzoate?
The InChIKey is IKBTWEILAICIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO3/c1-14-8(12)4-2-6(10)7(11-13)3-5(4)9/h2-3H,1H3.
What are the key properties of methyl 2,5-difluoro-4-nitrosobenzoate?
methyl 2,5-difluoro-4-nitrosobenzoate has a molecular weight of 201.13 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-difluoro-4-nitrosobenzoate is sourced from PubChem (CID 145120849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).