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

C7H8F3NS — CID 174868175

IUPAC4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
SMILESCCSc1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NS/c1-2-12-5-3-6(11-4-5)7(8,9)10/h3-4,11H,2H2,1H3
InChIKeyKKZOPEBOOSVLDC-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.15
Rot. Bonds2

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

4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole (PubChem CID 174868175) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
PubChem CID174868175
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
SMILESCCSc1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NS/c1-2-12-5-3-6(11-4-5)7(8,9)10/h3-4,11H,2H2,1H3
InChIKeyKKZOPEBOOSVLDC-UHFFFAOYSA-N
XLogP3.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole (CID 174868175) is 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole is CCSc1c[nH]c(C(F)(F)F)c1.
What is the InChIKey of 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
The InChIKey is KKZOPEBOOSVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-2-12-5-3-6(11-4-5)7(8,9)10/h3-4,11H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole?
4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole has a molecular weight of 195.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 174868175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).