N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline

C12H8ClFN2O — CID 102055882

IUPACN-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline
SMILESO=Nc1ccc(F)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFN2O/c13-8-1-4-10(5-2-8)15-12-7-9(14)3-6-11(12)16-17/h1-7,15H
InChIKeyWHTJFZMIGSNNKM-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.62
Rot. Bonds3

About N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline

N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline (PubChem CID 102055882) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline
PubChem CID102055882
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC NameN-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline
SMILESO=Nc1ccc(F)cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFN2O/c13-8-1-4-10(5-2-8)15-12-7-9(14)3-6-11(12)16-17/h1-7,15H
InChIKeyWHTJFZMIGSNNKM-UHFFFAOYSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline?
The IUPAC name of N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline (CID 102055882) is N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline.
What is the SMILES notation for N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline?
The canonical SMILES for N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline is O=Nc1ccc(F)cc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline?
The InChIKey is WHTJFZMIGSNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-8-1-4-10(5-2-8)15-12-7-9(14)3-6-11(12)16-17/h1-7,15H.
What are the key properties of N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline?
N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline has a molecular weight of 250.66 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-fluoro-2-nitrosoaniline is sourced from PubChem (CID 102055882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).