CID 58450346

C7H5F3OS — CID 58450346

IUPAC—
SMILES[CH]OC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1-4,6H
InChIKeyHZSZINHFUPMMIU-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.04
Rot. Bonds2

About CID 58450346

CID 58450346 (PubChem CID 58450346) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol.

Molecular Properties

Compound NameCID 58450346
PubChem CID58450346
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name—
SMILES[CH]OC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1-4,6H
InChIKeyHZSZINHFUPMMIU-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450346?
The IUPAC name of CID 58450346 (CID 58450346) is not available.
What is the SMILES notation for CID 58450346?
The canonical SMILES for CID 58450346 is [CH]OC(c1ccsc1)C(F)(F)F.
What is the InChIKey of CID 58450346?
The InChIKey is HZSZINHFUPMMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1-4,6H.
What are the key properties of CID 58450346?
CID 58450346 has a molecular weight of 194.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450346 is sourced from PubChem (CID 58450346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).