2-amino-5-(pentafluoro-λ6-sulfanyl)phenol

C6H6F5NOS — CID 71669136

IUPAC2-amino-5-(pentafluoro-λ6-sulfanyl)phenol
SMILESNc1ccc(S(F)(F)(F)(F)F)cc1O
InChIInChI=1S/C6H6F5NOS/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3,13H,12H2
InChIKeyUKCDUGBHFWVMNE-UHFFFAOYSA-N
MW235.18 g/mol
LogP3.63
Rot. Bonds1

About 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol

2-amino-5-(pentafluoro-λ6-sulfanyl)phenol (PubChem CID 71669136) has the molecular formula C6H6F5NOS and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol.

Molecular Properties

Compound Name2-amino-5-(pentafluoro-λ6-sulfanyl)phenol
PubChem CID71669136
Molecular FormulaC6H6F5NOS
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name2-amino-5-(pentafluoro-λ6-sulfanyl)phenol
SMILESNc1ccc(S(F)(F)(F)(F)F)cc1O
InChIInChI=1S/C6H6F5NOS/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3,13H,12H2
InChIKeyUKCDUGBHFWVMNE-UHFFFAOYSA-N
XLogP3.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol 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 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol?
The IUPAC name of 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol (CID 71669136) is 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol.
What is the SMILES notation for 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol?
The canonical SMILES for 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol is Nc1ccc(S(F)(F)(F)(F)F)cc1O.
What is the InChIKey of 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol?
The InChIKey is UKCDUGBHFWVMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NOS/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3,13H,12H2.
What are the key properties of 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol?
2-amino-5-(pentafluoro-λ6-sulfanyl)phenol has a molecular weight of 235.18 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(pentafluoro-λ6-sulfanyl)phenol is sourced from PubChem (CID 71669136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).