CID 58450319

C12H8F3NOS — CID 58450319

IUPAC—
SMILES[CH]OC(c1cnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c1-17-10(12(13,14)15)9-7-16-11(18-9)8-5-3-2-4-6-8/h1-7,10H
InChIKeyVPUMXCYUHIYPDK-UHFFFAOYSA-N
MW271.26 g/mol
LogP4.10
Rot. Bonds3

About CID 58450319

CID 58450319 (PubChem CID 58450319) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol.

Molecular Properties

Compound NameCID 58450319
PubChem CID58450319
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name—
SMILES[CH]OC(c1cnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c1-17-10(12(13,14)15)9-7-16-11(18-9)8-5-3-2-4-6-8/h1-7,10H
InChIKeyVPUMXCYUHIYPDK-UHFFFAOYSA-N
XLogP4.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450319?
The IUPAC name of CID 58450319 (CID 58450319) is not available.
What is the SMILES notation for CID 58450319?
The canonical SMILES for CID 58450319 is [CH]OC(c1cnc(-c2ccccc2)s1)C(F)(F)F.
What is the InChIKey of CID 58450319?
The InChIKey is VPUMXCYUHIYPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c1-17-10(12(13,14)15)9-7-16-11(18-9)8-5-3-2-4-6-8/h1-7,10H.
What are the key properties of CID 58450319?
CID 58450319 has a molecular weight of 271.26 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450319 is sourced from PubChem (CID 58450319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).