2,3-difluoro-6-nitrosoaniline

C6H4F2N2O — CID 90887779

IUPAC2,3-difluoro-6-nitrosoaniline
SMILESNc1c(N=O)ccc(F)c1F
InChIInChI=1S/C6H4F2N2O/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H,9H2
InChIKeyATGAIPCOADTFIF-UHFFFAOYSA-N
MW158.11 g/mol
LogP1.94
Rot. Bonds1

About 2,3-difluoro-6-nitrosoaniline

2,3-difluoro-6-nitrosoaniline (PubChem CID 90887779) has the molecular formula C6H4F2N2O and a molecular weight of 158.11 g/mol. Its IUPAC name is 2,3-difluoro-6-nitrosoaniline.

Molecular Properties

Compound Name2,3-difluoro-6-nitrosoaniline
PubChem CID90887779
Molecular FormulaC6H4F2N2O
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name2,3-difluoro-6-nitrosoaniline
SMILESNc1c(N=O)ccc(F)c1F
InChIInChI=1S/C6H4F2N2O/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H,9H2
InChIKeyATGAIPCOADTFIF-UHFFFAOYSA-N
XLogP1.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluorobenzene-1,2-diamine
CID 2736753
2,6-dimethyl-3-nitrosoaniline
CID 154954287
2-(2,3,4-trifluorophenyl)guanidine
CID 62379829
2-bromo-3-fluoro-N-methyl-6-nitrosoaniline
CID 171554405
methyl 2-amino-3,4-difluorobenzoate
CID 22621156
methyl 2,4-diamino-3-fluoro-5-nitrosobenzoate
CID 90693301
3,4,6-trifluoro-5-(2,3,6-trifluorophenyl)benzene-1,2-diamine
CID 141297507
3-fluoro-4-nitrosobenzonitrile
CID 88884017
2-(3-amino-2,4-difluorophenyl)sulfonylguanidine
CID 107343914
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
2-(2-aminoethyl)-3,4-difluoroaniline
CID 55254324

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-nitrosoaniline?
The IUPAC name of 2,3-difluoro-6-nitrosoaniline (CID 90887779) is 2,3-difluoro-6-nitrosoaniline.
What is the SMILES notation for 2,3-difluoro-6-nitrosoaniline?
The canonical SMILES for 2,3-difluoro-6-nitrosoaniline is Nc1c(N=O)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-nitrosoaniline?
The InChIKey is ATGAIPCOADTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H,9H2.
What are the key properties of 2,3-difluoro-6-nitrosoaniline?
2,3-difluoro-6-nitrosoaniline has a molecular weight of 158.11 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-nitrosoaniline is sourced from PubChem (CID 90887779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).