3-(difluoromethylsulfinyl)-1H-pyrrole

C5H5F2NOS — CID 57175099

IUPAC3-(difluoromethylsulfinyl)-1H-pyrrole
SMILESO=S(c1cc[nH]c1)C(F)F
InChIInChI=1S/C5H5F2NOS/c6-5(7)10(9)4-1-2-8-3-4/h1-3,5,8H
InChIKeyTUOXHBFBQANFAW-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.34
Rot. Bonds2

About 3-(difluoromethylsulfinyl)-1H-pyrrole

3-(difluoromethylsulfinyl)-1H-pyrrole (PubChem CID 57175099) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-(difluoromethylsulfinyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(difluoromethylsulfinyl)-1H-pyrrole
PubChem CID57175099
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name3-(difluoromethylsulfinyl)-1H-pyrrole
SMILESO=S(c1cc[nH]c1)C(F)F
InChIInChI=1S/C5H5F2NOS/c6-5(7)10(9)4-1-2-8-3-4/h1-3,5,8H
InChIKeyTUOXHBFBQANFAW-UHFFFAOYSA-N
XLogP1.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfinyl)-1H-pyrrole?
The IUPAC name of 3-(difluoromethylsulfinyl)-1H-pyrrole (CID 57175099) is 3-(difluoromethylsulfinyl)-1H-pyrrole.
What is the SMILES notation for 3-(difluoromethylsulfinyl)-1H-pyrrole?
The canonical SMILES for 3-(difluoromethylsulfinyl)-1H-pyrrole is O=S(c1cc[nH]c1)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfinyl)-1H-pyrrole?
The InChIKey is TUOXHBFBQANFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c6-5(7)10(9)4-1-2-8-3-4/h1-3,5,8H.
What are the key properties of 3-(difluoromethylsulfinyl)-1H-pyrrole?
3-(difluoromethylsulfinyl)-1H-pyrrole has a molecular weight of 165.16 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfinyl)-1H-pyrrole is sourced from PubChem (CID 57175099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).