1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene

C7H2Cl2F3NO3 — CID 118852875

IUPAC1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
SMILESO=[N+]([O-])c1c(Cl)cc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H2Cl2F3NO3/c8-3-1-4(9)6(13(14)15)5(2-3)16-7(10,11)12/h1-2H
InChIKeyWSHQUIJSQROCRC-UHFFFAOYSA-N
MW276.00 g/mol
LogP3.80
Rot. Bonds2

About 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene

1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene (PubChem CID 118852875) has the molecular formula C7H2Cl2F3NO3 and a molecular weight of 276.00 g/mol. Its IUPAC name is 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
PubChem CID118852875
Molecular FormulaC7H2Cl2F3NO3
Molecular Weight276.00 g/mol
Exact Mass274.94
IUPAC Name1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
SMILESO=[N+]([O-])c1c(Cl)cc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H2Cl2F3NO3/c8-3-1-4(9)6(13(14)15)5(2-3)16-7(10,11)12/h1-2H
InChIKeyWSHQUIJSQROCRC-UHFFFAOYSA-N
XLogP3.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.00
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-5-methyl-2-nitro-3-(trifluoromethoxy)benzene
CID 134629875
5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline
CID 150459531
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
1,5-dichloro-3-[(3,5-dichloro-2-nitrophenyl)methoxymethyl]-2-nitrobenzene
CID 139785843
methyl 2-(3,5-dichloro-2-nitrophenyl)acetate
CID 134890332
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118837677
2-chloro-5-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 118799998
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
2-chloro-6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 119016049
6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
CID 134658939
1,3-dimethyl-2-nitro-4-(trifluoromethoxy)benzene
CID 118819026

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene?
The IUPAC name of 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene (CID 118852875) is 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene is O=[N+]([O-])c1c(Cl)cc(Cl)cc1OC(F)(F)F.
What is the InChIKey of 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene?
The InChIKey is WSHQUIJSQROCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3NO3/c8-3-1-4(9)6(13(14)15)5(2-3)16-7(10,11)12/h1-2H.
What are the key properties of 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene?
1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene has a molecular weight of 276.00 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 118852875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).