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

C11H8Cl2F3N — CID 151141890

IUPAC5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CCN=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2F3N/c12-7-3-6(4-8(13)5-7)10-9(1-2-17-10)11(14,15)16/h3-5,9H,1-2H2
InChIKeyMWJKTPYMPLHYCQ-UHFFFAOYSA-N
MW282.09 g/mol
LogP4.36
Rot. Bonds1

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

5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 151141890) has the molecular formula C11H8Cl2F3N and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
PubChem CID151141890
Molecular FormulaC11H8Cl2F3N
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CCN=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2F3N/c12-7-3-6(4-8(13)5-7)10-9(1-2-17-10)11(14,15)16/h3-5,9H,1-2H2
InChIKeyMWJKTPYMPLHYCQ-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 151141890) is 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)C1CCN=C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is MWJKTPYMPLHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N/c12-7-3-6(4-8(13)5-7)10-9(1-2-17-10)11(14,15)16/h3-5,9H,1-2H2.
What are the key properties of 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 282.09 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 151141890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).