1-chloro-4-nitro-2-(trifluoromethoxy)benzene

C7H3ClF3NO3 — CID 71669332

IUPAC1-chloro-4-nitro-2-(trifluoromethoxy)benzene
SMILESO=[N+]([O-])c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3ClF3NO3/c8-5-2-1-4(12(13)14)3-6(5)15-7(9,10)11/h1-3H
InChIKeyWVRGIODBGXCYRU-UHFFFAOYSA-N
MW241.55 g/mol
LogP3.15
Rot. Bonds2

About 1-chloro-4-nitro-2-(trifluoromethoxy)benzene

1-chloro-4-nitro-2-(trifluoromethoxy)benzene (PubChem CID 71669332) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 1-chloro-4-nitro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-nitro-2-(trifluoromethoxy)benzene
PubChem CID71669332
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name1-chloro-4-nitro-2-(trifluoromethoxy)benzene
SMILESO=[N+]([O-])c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3ClF3NO3/c8-5-2-1-4(12(13)14)3-6(5)15-7(9,10)11/h1-3H
InChIKeyWVRGIODBGXCYRU-UHFFFAOYSA-N
XLogP3.15
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 53.15
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

4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
2-iodo-4-nitro-1-(trifluoromethoxy)benzene
CID 56604200
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
2-(difluoromethoxy)-4-nitro-1-(trifluoromethoxy)benzene
CID 46311619
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
potassium (2-chloro-5-nitrophenyl) sulfite
CID 175273368
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132
2-methylsulfonyl-4-nitro-1-(trifluoromethoxy)benzene
CID 22311166
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-nitro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-4-nitro-2-(trifluoromethoxy)benzene (CID 71669332) is 1-chloro-4-nitro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-4-nitro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-4-nitro-2-(trifluoromethoxy)benzene is O=[N+]([O-])c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-nitro-2-(trifluoromethoxy)benzene?
The InChIKey is WVRGIODBGXCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(12(13)14)3-6(5)15-7(9,10)11/h1-3H.
What are the key properties of 1-chloro-4-nitro-2-(trifluoromethoxy)benzene?
1-chloro-4-nitro-2-(trifluoromethoxy)benzene has a molecular weight of 241.55 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-nitro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 71669332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).