CID 58450266

C6H4F3NOS — CID 58450266

IUPAC—
SMILES[CH]OC(c1cncs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h1-3,5H
InChIKeyZVTNUZOXUIPELZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.43
Rot. Bonds2

About CID 58450266

CID 58450266 (PubChem CID 58450266) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol.

Molecular Properties

Compound NameCID 58450266
PubChem CID58450266
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name—
SMILES[CH]OC(c1cncs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h1-3,5H
InChIKeyZVTNUZOXUIPELZ-UHFFFAOYSA-N
XLogP2.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450266?
The IUPAC name of CID 58450266 (CID 58450266) is not available.
What is the SMILES notation for CID 58450266?
The canonical SMILES for CID 58450266 is [CH]OC(c1cncs1)C(F)(F)F.
What is the InChIKey of CID 58450266?
The InChIKey is ZVTNUZOXUIPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h1-3,5H.
What are the key properties of CID 58450266?
CID 58450266 has a molecular weight of 195.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450266 is sourced from PubChem (CID 58450266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).