2-(2,3-difluoro-6-nitrophenyl)acetate

C8H4F2NO4- — CID 86306842

IUPAC2-(2,3-difluoro-6-nitrophenyl)acetate
SMILESO=C([O-])Cc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)/p-1
InChIKeyKZNVCGPCWKYPKD-UHFFFAOYSA-M
MW216.12 g/mol
LogP0.17
Rot. Bonds3

About 2-(2,3-difluoro-6-nitrophenyl)acetate

2-(2,3-difluoro-6-nitrophenyl)acetate (PubChem CID 86306842) has the molecular formula C8H4F2NO4- and a molecular weight of 216.12 g/mol. Its IUPAC name is 2-(2,3-difluoro-6-nitrophenyl)acetate.

Molecular Properties

Compound Name2-(2,3-difluoro-6-nitrophenyl)acetate
PubChem CID86306842
Molecular FormulaC8H4F2NO4-
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name2-(2,3-difluoro-6-nitrophenyl)acetate
SMILESO=C([O-])Cc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)/p-1
InChIKeyKZNVCGPCWKYPKD-UHFFFAOYSA-M
XLogP0.17
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2,6-difluoro-3-nitrophenyl)ethanol
CID 130047508
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
2,6-difluoro-3-nitrobenzamide
CID 2780101
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
ethyl 2-(2-bromo-3-fluoro-6-nitrophenyl)acetate
CID 134631916
2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
CID 58071374
1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
CID 79757959
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
2-bromo-6-fluoro-3-nitrophenol
CID 119015559
(3-fluoro-2,6-dinitrophenyl) propanoate
CID 174727561
2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-6-nitrophenyl)acetate?
The IUPAC name of 2-(2,3-difluoro-6-nitrophenyl)acetate (CID 86306842) is 2-(2,3-difluoro-6-nitrophenyl)acetate.
What is the SMILES notation for 2-(2,3-difluoro-6-nitrophenyl)acetate?
The canonical SMILES for 2-(2,3-difluoro-6-nitrophenyl)acetate is O=C([O-])Cc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-6-nitrophenyl)acetate?
The InChIKey is KZNVCGPCWKYPKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)/p-1.
What are the key properties of 2-(2,3-difluoro-6-nitrophenyl)acetate?
2-(2,3-difluoro-6-nitrophenyl)acetate has a molecular weight of 216.12 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-6-nitrophenyl)acetate is sourced from PubChem (CID 86306842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).