5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole

C12H11ClF3N — CID 140967238

IUPAC5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1C(c2ccc(Cl)cc2)=CCC1C(F)(F)F
InChIInChI=1S/C12H11ClF3N/c1-17-10(6-7-11(17)12(14,15)16)8-2-4-9(13)5-3-8/h2-6,11H,7H2,1H3
InChIKeyHMANBSYSPBMWPP-UHFFFAOYSA-N
MW261.67 g/mol
LogP3.95
Rot. Bonds1

About 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole

5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 140967238) has the molecular formula C12H11ClF3N and a molecular weight of 261.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID140967238
Molecular FormulaC12H11ClF3N
Molecular Weight261.67 g/mol
Exact Mass261.05
IUPAC Name5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1C(c2ccc(Cl)cc2)=CCC1C(F)(F)F
InChIInChI=1S/C12H11ClF3N/c1-17-10(6-7-11(17)12(14,15)16)8-2-4-9(13)5-3-8/h2-6,11H,7H2,1H3
InChIKeyHMANBSYSPBMWPP-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole (CID 140967238) is 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole is CN1C(c2ccc(Cl)cc2)=CCC1C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is HMANBSYSPBMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N/c1-17-10(6-7-11(17)12(14,15)16)8-2-4-9(13)5-3-8/h2-6,11H,7H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole?
5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 261.67 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 140967238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).