CID 58450205

C7H5F3OS — CID 58450205

IUPAC—
SMILES[CH]OC(c1cccs1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-3-2-4-12-5/h1-4,6H
InChIKeyXUFZIFMKECQYSP-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.04
Rot. Bonds2

About CID 58450205

CID 58450205 (PubChem CID 58450205) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol.

Molecular Properties

Compound NameCID 58450205
PubChem CID58450205
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name—
SMILES[CH]OC(c1cccs1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-3-2-4-12-5/h1-4,6H
InChIKeyXUFZIFMKECQYSP-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 58450205?
The IUPAC name of CID 58450205 (CID 58450205) is not available.
What is the SMILES notation for CID 58450205?
The canonical SMILES for CID 58450205 is [CH]OC(c1cccs1)C(F)(F)F.
What is the InChIKey of CID 58450205?
The InChIKey is XUFZIFMKECQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c1-11-6(7(8,9)10)5-3-2-4-12-5/h1-4,6H.
What are the key properties of CID 58450205?
CID 58450205 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 58450205 is sourced from PubChem (CID 58450205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).