3-(trifluoromethyl)-2H-pyrrole

C5H4F3N — CID 162063614

IUPAC3-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CC=NC1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-2H,3H2
InChIKeyJPGDKODRDOBOOI-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.56
Rot. Bonds

About 3-(trifluoromethyl)-2H-pyrrole

3-(trifluoromethyl)-2H-pyrrole (PubChem CID 162063614) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyrrole
PubChem CID162063614
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name3-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CC=NC1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-2H,3H2
InChIKeyJPGDKODRDOBOOI-UHFFFAOYSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 3-(trifluoromethyl)-2H-pyrrole (CID 162063614) is 3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyrrole is FC(F)(F)C1=CC=NC1.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is JPGDKODRDOBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1-2H,3H2.
What are the key properties of 3-(trifluoromethyl)-2H-pyrrole?
3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 162063614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).