4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole

C11H8F3NS — CID 18969591

IUPAC4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(Sc2ccccc2)c[nH]1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10-6-9(7-15-10)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyRBQAJQHSZIFBKL-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.18
Rot. Bonds2

About 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole

4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole (PubChem CID 18969591) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
PubChem CID18969591
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(Sc2ccccc2)c[nH]1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10-6-9(7-15-10)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyRBQAJQHSZIFBKL-UHFFFAOYSA-N
XLogP4.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole (CID 18969591) is 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole is FC(F)(F)c1cc(Sc2ccccc2)c[nH]1.
What is the InChIKey of 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The InChIKey is RBQAJQHSZIFBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-11(13,14)10-6-9(7-15-10)16-8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole has a molecular weight of 243.25 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-2-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 18969591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).