3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

C13H14F3N — CID 69171311

IUPAC3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESCc1ccc(C2=NCC(C)(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H14F3N/c1-9-3-5-10(6-4-9)11-7-12(2,8-17-11)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyRQKUGTPUNNVLJG-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.76
Rot. Bonds1

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

3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 69171311) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID69171311
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESCc1ccc(C2=NCC(C)(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H14F3N/c1-9-3-5-10(6-4-9)11-7-12(2,8-17-11)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyRQKUGTPUNNVLJG-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 69171311) is 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is Cc1ccc(C2=NCC(C)(C(F)(F)F)C2)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is RQKUGTPUNNVLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-9-3-5-10(6-4-9)11-7-12(2,8-17-11)13(14,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 241.26 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 69171311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).