pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane

C6H3F6NO2S — CID 15544164

IUPACpentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F6NO2S/c7-5-2-1-4(13(14)15)3-6(5)16(8,9,10,11)12/h1-3H
InChIKeyHWUNXVRPIXYWGE-UHFFFAOYSA-N
MW267.15 g/mol
LogP4.39
Rot. Bonds2

About pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane

pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane (PubChem CID 15544164) has the molecular formula C6H3F6NO2S and a molecular weight of 267.15 g/mol. Its IUPAC name is pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane
PubChem CID15544164
Molecular FormulaC6H3F6NO2S
Molecular Weight267.15 g/mol
Exact Mass266.98
IUPAC Namepentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F6NO2S/c7-5-2-1-4(13(14)15)3-6(5)16(8,9,10,11)12/h1-3H
InChIKeyHWUNXVRPIXYWGE-UHFFFAOYSA-N
XLogP4.39
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane 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 pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane (CID 15544164) is pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane is O=[N+]([O-])c1ccc(F)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane?
The InChIKey is HWUNXVRPIXYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NO2S/c7-5-2-1-4(13(14)15)3-6(5)16(8,9,10,11)12/h1-3H.
What are the key properties of pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane?
pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane has a molecular weight of 267.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(2-fluoro-5-nitrophenyl)-λ6-sulfane is sourced from PubChem (CID 15544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).