1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene

C12H6Cl2FNO2 — CID 119007627

IUPAC1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(-c2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C12H6Cl2FNO2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(12(7)15)16(17)18/h1-6H
InChIKeyXGAAEFUNXDMTJC-UHFFFAOYSA-N
MW286.09 g/mol
LogP4.71
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene

1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene (PubChem CID 119007627) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
PubChem CID119007627
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(-c2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C12H6Cl2FNO2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(12(7)15)16(17)18/h1-6H
InChIKeyXGAAEFUNXDMTJC-UHFFFAOYSA-N
XLogP4.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
1-[6-(2-chlorophenyl)cyclohexa-1,5-dien-1-yl]-2-fluoro-3-nitrobenzene
CID 177075922
3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
CID 175739955
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
2-fluoro-3-nitrobenzenethiol
CID 150966196
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
1-chloro-3-nitro-2-(trifluoromethyl)benzene
CID 11075091

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene (CID 119007627) is 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene is O=[N+]([O-])c1cccc(-c2c(Cl)cccc2Cl)c1F.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene?
The InChIKey is XGAAEFUNXDMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(12(7)15)16(17)18/h1-6H.
What are the key properties of 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene?
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene has a molecular weight of 286.09 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene is sourced from PubChem (CID 119007627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).