dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane

C10H11F5O3S — CID 123669050

IUPACdihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane
SMILESCC(C)CS(=O)(O)(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5O3S/c1-4(2)3-19(16,17,18)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3H2,1-2H3,(H2,16,17,18)
InChIKeyBGARYMZWUGKNKZ-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.16
Rot. Bonds3

About dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane

dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane (PubChem CID 123669050) has the molecular formula C10H11F5O3S and a molecular weight of 306.25 g/mol. Its IUPAC name is dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane.

Molecular Properties

Compound Namedihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane
PubChem CID123669050
Molecular FormulaC10H11F5O3S
Molecular Weight306.25 g/mol
Exact Mass306.03
IUPAC Namedihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane
SMILESCC(C)CS(=O)(O)(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5O3S/c1-4(2)3-19(16,17,18)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3H2,1-2H3,(H2,16,17,18)
InChIKeyBGARYMZWUGKNKZ-UHFFFAOYSA-N
XLogP3.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-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 dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane?
The IUPAC name of dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane (CID 123669050) is dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane.
What is the SMILES notation for dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane?
The canonical SMILES for dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane is CC(C)CS(=O)(O)(O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane?
The InChIKey is BGARYMZWUGKNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O3S/c1-4(2)3-19(16,17,18)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane?
dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane has a molecular weight of 306.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2-methylpropyl)-oxo-(2,3,4,5,6-pentafluorophenyl)-λ6-sulfane is sourced from PubChem (CID 123669050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).