5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

C11H9ClF3N — CID 152545587

IUPAC5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESFC(F)(F)C1CC=C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H9ClF3N/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(13,14)15/h1-5,10,16H,6H2
InChIKeyYMKOLECGXULTPT-UHFFFAOYSA-N
MW247.65 g/mol
LogP3.61
Rot. Bonds1

About 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (PubChem CID 152545587) has the molecular formula C11H9ClF3N and a molecular weight of 247.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
PubChem CID152545587
Molecular FormulaC11H9ClF3N
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESFC(F)(F)C1CC=C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H9ClF3N/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(13,14)15/h1-5,10,16H,6H2
InChIKeyYMKOLECGXULTPT-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
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CID 153340313
(2R)-7-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130682483
1-chloro-4-[(1S,2R)-1-cyclopropyl-2-(trifluoromethyl)cyclopropyl]benzene
CID 169432317
(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
CID 6933181
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CID 86290450

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (CID 152545587) is 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is FC(F)(F)C1CC=C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is YMKOLECGXULTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(13,14)15/h1-5,10,16H,6H2.
What are the key properties of 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 247.65 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 152545587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).