2-(trifluoromethyl)-3H-pyrrole

C5H4F3N — CID 125357438

IUPAC2-(trifluoromethyl)-3H-pyrrole
SMILESFC(F)(F)C1=NC=CC1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1,3H,2H2
InChIKeyWMRRBNOCPIKMJM-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.91
Rot. Bonds

About 2-(trifluoromethyl)-3H-pyrrole

2-(trifluoromethyl)-3H-pyrrole (PubChem CID 125357438) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-pyrrole.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-pyrrole
PubChem CID125357438
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2-(trifluoromethyl)-3H-pyrrole
SMILESFC(F)(F)C1=NC=CC1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1,3H,2H2
InChIKeyWMRRBNOCPIKMJM-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3H-pyrrole?
The IUPAC name of 2-(trifluoromethyl)-3H-pyrrole (CID 125357438) is 2-(trifluoromethyl)-3H-pyrrole.
What is the SMILES notation for 2-(trifluoromethyl)-3H-pyrrole?
The canonical SMILES for 2-(trifluoromethyl)-3H-pyrrole is FC(F)(F)C1=NC=CC1.
What is the InChIKey of 2-(trifluoromethyl)-3H-pyrrole?
The InChIKey is WMRRBNOCPIKMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1,3H,2H2.
What are the key properties of 2-(trifluoromethyl)-3H-pyrrole?
2-(trifluoromethyl)-3H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3H-pyrrole is sourced from PubChem (CID 125357438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).