1,2,5-trifluoro-3-nitrosobenzene

C6H2F3NO — CID 174866756

IUPAC1,2,5-trifluoro-3-nitrosobenzene
SMILESO=Nc1cc(F)cc(F)c1F
InChIInChI=1S/C6H2F3NO/c7-3-1-4(8)6(9)5(2-3)10-11/h1-2H
InChIKeyZTAIPLSKWGDFQF-UHFFFAOYSA-N
MW161.08 g/mol
LogP2.50
Rot. Bonds1

About 1,2,5-trifluoro-3-nitrosobenzene

1,2,5-trifluoro-3-nitrosobenzene (PubChem CID 174866756) has the molecular formula C6H2F3NO and a molecular weight of 161.08 g/mol. Its IUPAC name is 1,2,5-trifluoro-3-nitrosobenzene.

Molecular Properties

Compound Name1,2,5-trifluoro-3-nitrosobenzene
PubChem CID174866756
Molecular FormulaC6H2F3NO
Molecular Weight161.08 g/mol
Exact Mass161.01
IUPAC Name1,2,5-trifluoro-3-nitrosobenzene
SMILESO=Nc1cc(F)cc(F)c1F
InChIInChI=1S/C6H2F3NO/c7-3-1-4(8)6(9)5(2-3)10-11/h1-2H
InChIKeyZTAIPLSKWGDFQF-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,2,5-trifluoro-3-nitrosobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trifluoro-3-nitrosobenzene?
The IUPAC name of 1,2,5-trifluoro-3-nitrosobenzene (CID 174866756) is 1,2,5-trifluoro-3-nitrosobenzene.
What is the SMILES notation for 1,2,5-trifluoro-3-nitrosobenzene?
The canonical SMILES for 1,2,5-trifluoro-3-nitrosobenzene is O=Nc1cc(F)cc(F)c1F.
What is the InChIKey of 1,2,5-trifluoro-3-nitrosobenzene?
The InChIKey is ZTAIPLSKWGDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3NO/c7-3-1-4(8)6(9)5(2-3)10-11/h1-2H.
What are the key properties of 1,2,5-trifluoro-3-nitrosobenzene?
1,2,5-trifluoro-3-nitrosobenzene has a molecular weight of 161.08 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trifluoro-3-nitrosobenzene is sourced from PubChem (CID 174866756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).