5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole

C5H6F3NO — CID 123309337

IUPAC5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)OC1=NCCC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)10-4-2-1-3-9-4/h1-3H2
InChIKeyUJSAINGEYAANFL-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.72
Rot. Bonds

About 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole

5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole (PubChem CID 123309337) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole
PubChem CID123309337
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)OC1=NCCC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)10-4-2-1-3-9-4/h1-3H2
InChIKeyUJSAINGEYAANFL-UHFFFAOYSA-N
XLogP1.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole (CID 123309337) is 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole is FC(F)(F)OC1=NCCC1.
What is the InChIKey of 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole?
The InChIKey is UJSAINGEYAANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)10-4-2-1-3-9-4/h1-3H2.
What are the key properties of 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole?
5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole has a molecular weight of 153.10 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123309337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).