1-(trifluoromethylsulfinyl)pyrrole

C5H4F3NOS — CID 18994437

IUPAC1-(trifluoromethylsulfinyl)pyrrole
SMILESO=S(n1cccc1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)11(10)9-3-1-2-4-9/h1-4H
InChIKeyBUSJOYHBROCMDH-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.52
Rot. Bonds1

About 1-(trifluoromethylsulfinyl)pyrrole

1-(trifluoromethylsulfinyl)pyrrole (PubChem CID 18994437) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 1-(trifluoromethylsulfinyl)pyrrole.

Molecular Properties

Compound Name1-(trifluoromethylsulfinyl)pyrrole
PubChem CID18994437
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name1-(trifluoromethylsulfinyl)pyrrole
SMILESO=S(n1cccc1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)11(10)9-3-1-2-4-9/h1-4H
InChIKeyBUSJOYHBROCMDH-UHFFFAOYSA-N
XLogP1.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfinyl)pyrrole?
The IUPAC name of 1-(trifluoromethylsulfinyl)pyrrole (CID 18994437) is 1-(trifluoromethylsulfinyl)pyrrole.
What is the SMILES notation for 1-(trifluoromethylsulfinyl)pyrrole?
The canonical SMILES for 1-(trifluoromethylsulfinyl)pyrrole is O=S(n1cccc1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfinyl)pyrrole?
The InChIKey is BUSJOYHBROCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)11(10)9-3-1-2-4-9/h1-4H.
What are the key properties of 1-(trifluoromethylsulfinyl)pyrrole?
1-(trifluoromethylsulfinyl)pyrrole has a molecular weight of 183.15 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfinyl)pyrrole is sourced from PubChem (CID 18994437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).