2-(trifluoromethyl)-2H-pyrrole

C5H4F3N — CID 67621404

IUPAC2-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1C=CC=N1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-4H
InChIKeyCBYOKMRTLGFARI-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.56
Rot. Bonds

About 2-(trifluoromethyl)-2H-pyrrole

2-(trifluoromethyl)-2H-pyrrole (PubChem CID 67621404) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-pyrrole
PubChem CID67621404
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1C=CC=N1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-4H
InChIKeyCBYOKMRTLGFARI-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 2-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2-(trifluoromethyl)-2H-pyrrole (CID 67621404) is 2-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2-(trifluoromethyl)-2H-pyrrole is FC(F)(F)C1C=CC=N1.
What is the InChIKey of 2-(trifluoromethyl)-2H-pyrrole?
The InChIKey is CBYOKMRTLGFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-4H.
What are the key properties of 2-(trifluoromethyl)-2H-pyrrole?
2-(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 2-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 67621404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).