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

C6H3F6NOS — CID 152558733

IUPAC2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole
SMILESO=S(c1c[nH]c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C6H3F6NOS/c7-5(8,9)4-1-3(2-13-4)15(14)6(10,11)12/h1-2,13H
InChIKeyYPAPQUIBFJBVLR-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.66
Rot. Bonds1

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

2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole (PubChem CID 152558733) has the molecular formula C6H3F6NOS and a molecular weight of 251.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole
PubChem CID152558733
Molecular FormulaC6H3F6NOS
Molecular Weight251.15 g/mol
Exact Mass250.98
IUPAC Name2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole
SMILESO=S(c1c[nH]c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C6H3F6NOS/c7-5(8,9)4-1-3(2-13-4)15(14)6(10,11)12/h1-2,13H
InChIKeyYPAPQUIBFJBVLR-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole?
The IUPAC name of 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole (CID 152558733) is 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole.
What is the SMILES notation for 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole?
The canonical SMILES for 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole is O=S(c1c[nH]c(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole?
The InChIKey is YPAPQUIBFJBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NOS/c7-5(8,9)4-1-3(2-13-4)15(14)6(10,11)12/h1-2,13H.
What are the key properties of 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole?
2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole has a molecular weight of 251.15 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-(trifluoromethylsulfinyl)-1H-pyrrole is sourced from PubChem (CID 152558733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).