CID 58450350

C6H4F3NOS — CID 58450350

IUPAC—
SMILES[CH]OC(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-11-4(6(7,8)9)5-10-2-3-12-5/h1-4H
InChIKeyPXWBOGBXJNGNQU-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.43
Rot. Bonds2

About CID 58450350

CID 58450350 (PubChem CID 58450350) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol.

Molecular Properties

Compound NameCID 58450350
PubChem CID58450350
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name—
SMILES[CH]OC(c1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-11-4(6(7,8)9)5-10-2-3-12-5/h1-4H
InChIKeyPXWBOGBXJNGNQU-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 58450350?
The IUPAC name of CID 58450350 (CID 58450350) is not available.
What is the SMILES notation for CID 58450350?
The canonical SMILES for CID 58450350 is [CH]OC(c1nccs1)C(F)(F)F.
What is the InChIKey of CID 58450350?
The InChIKey is PXWBOGBXJNGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c1-11-4(6(7,8)9)5-10-2-3-12-5/h1-4H.
What are the key properties of CID 58450350?
CID 58450350 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 58450350 is sourced from PubChem (CID 58450350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).