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

C6H6F5N — CID 155144954

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C1=CCNC1
InChIInChI=1S/C6H6F5N/c7-5(8,6(9,10)11)4-1-2-12-3-4/h1,12H,2-3H2
InChIKeyZPCZIMYYKRRGLY-UHFFFAOYSA-N
MW187.11 g/mol
LogP1.71
Rot. Bonds1

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

3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 155144954) has the molecular formula C6H6F5N and a molecular weight of 187.11 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole
PubChem CID155144954
Molecular FormulaC6H6F5N
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C1=CCNC1
InChIInChI=1S/C6H6F5N/c7-5(8,6(9,10)11)4-1-2-12-3-4/h1,12H,2-3H2
InChIKeyZPCZIMYYKRRGLY-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 26985655
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
CID 68685876
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 131587634
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 155144953
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 155144958
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160725
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160950
3-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)pyrrolidine
CID 155262754
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine;hydrochloride
CID 162691497

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole (CID 155144954) is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole is FC(F)(F)C(F)(F)C1=CCNC1.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is ZPCZIMYYKRRGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N/c7-5(8,6(9,10)11)4-1-2-12-3-4/h1,12H,2-3H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole?
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 187.11 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 155144954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).