3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole

C5H6F3N — CID 68685876

IUPAC3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)C1=CCNC1
InChIInChI=1S/C5H6F3N/c6-5(7,8)4-1-2-9-3-4/h1,9H,2-3H2
InChIKeyYQJHVAUSHQYZPL-UHFFFAOYSA-N
MW137.10 g/mol
LogP1.08
Rot. Bonds

About 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole

3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 68685876) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
PubChem CID68685876
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)C1=CCNC1
InChIInChI=1S/C5H6F3N/c6-5(7,8)4-1-2-9-3-4/h1,9H,2-3H2
InChIKeyYQJHVAUSHQYZPL-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole (CID 68685876) is 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole is FC(F)(F)C1=CCNC1.
What is the InChIKey of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is YQJHVAUSHQYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N/c6-5(7,8)4-1-2-9-3-4/h1,9H,2-3H2.
What are the key properties of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole?
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 137.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 68685876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).