5-(3-chloro-2-fluorophenoxy)-2-nitroaniline

C12H8ClFN2O3 — CID 106752111

IUPAC5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
SMILESNc1cc(Oc2cccc(Cl)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN2O3/c13-8-2-1-3-11(12(8)14)19-7-4-5-10(16(17)18)9(15)6-7/h1-6H,15H2
InChIKeyAXWIPLLCGMEPBS-UHFFFAOYSA-N
MW282.66 g/mol
LogP3.76
Rot. Bonds3

About 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline

5-(3-chloro-2-fluorophenoxy)-2-nitroaniline (PubChem CID 106752111) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
PubChem CID106752111
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
SMILESNc1cc(Oc2cccc(Cl)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN2O3/c13-8-2-1-3-11(12(8)14)19-7-4-5-10(16(17)18)9(15)6-7/h1-6H,15H2
InChIKeyAXWIPLLCGMEPBS-UHFFFAOYSA-N
XLogP3.76
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
5-(2-bromo-3-nitrophenoxy)-2-nitroaniline
CID 106752110
3-(3-amino-4-nitrophenoxy)-4-nitroaniline
CID 71375971
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
5-(2-chloro-5-nitrophenoxy)-2-nitroaniline
CID 106752058
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
1-chloro-3-(3-fluoro-4-nitrophenoxy)-2-nitrobenzene
CID 104835402
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
1-chloro-2-(chloromethyl)-3-(3-fluoro-4-nitrophenoxy)benzene
CID 63568216
1-chloro-2-(chloromethyl)-3-(3-chloro-4-nitrophenoxy)benzene
CID 63566974
5-(3-bromo-5-fluorophenoxy)-2-nitroaniline
CID 106752087

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline?
The IUPAC name of 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline (CID 106752111) is 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline.
What is the SMILES notation for 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline?
The canonical SMILES for 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline is Nc1cc(Oc2cccc(Cl)c2F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline?
The InChIKey is AXWIPLLCGMEPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-8-2-1-3-11(12(8)14)19-7-4-5-10(16(17)18)9(15)6-7/h1-6H,15H2.
What are the key properties of 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline?
5-(3-chloro-2-fluorophenoxy)-2-nitroaniline has a molecular weight of 282.66 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenoxy)-2-nitroaniline is sourced from PubChem (CID 106752111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).