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

C6H7ClF5N — CID 155144953

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C1=CCNC1
InChIInChI=1S/C6H6F5N.ClH/c7-5(8,6(9,10)11)4-1-2-12-3-4;/h1,12H,2-3H2;1H
InChIKeyLYYVAKFWFZAPLU-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.14
Rot. Bonds1

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

3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 155144953) has the molecular formula C6H7ClF5N and a molecular weight of 223.57 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID155144953
Molecular FormulaC6H7ClF5N
Molecular Weight223.57 g/mol
Exact Mass223.02
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C1=CCNC1
InChIInChI=1S/C6H6F5N.ClH/c7-5(8,6(9,10)11)4-1-2-12-3-4;/h1,12H,2-3H2;1H
InChIKeyLYYVAKFWFZAPLU-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 52.14
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
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155145024
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 26985655
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
CID 155144954
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;hydrochloride?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (CID 155144953) is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is Cl.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;hydrochloride?
The InChIKey is LYYVAKFWFZAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N.ClH/c7-5(8,6(9,10)11)4-1-2-12-3-4;/h1,12H,2-3H2;1H.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 223.57 g/mol, XLogP of 2.14, 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;hydrochloride is sourced from PubChem (CID 155144953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).