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

C6H8F3N — CID 117205482

IUPAC3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)CC1=CCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h1,10H,2-4H2
InChIKeyIHPPUGZXHTYBQR-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.47
Rot. Bonds1

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

3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 117205482) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
PubChem CID117205482
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)CC1=CCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h1,10H,2-4H2
InChIKeyIHPPUGZXHTYBQR-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.47
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-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole (CID 117205482) is 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole is FC(F)(F)CC1=CCNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is IHPPUGZXHTYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h1,10H,2-4H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole?
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 117205482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).