3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole

C13H12F3N — CID 71025407

IUPAC3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole
SMILESCc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N/c1-9-3-4-17(8-9)12-6-10(2)5-11(7-12)13(14,15)16/h3-8H,1-2H3
InChIKeyXJUAVKJKEHDMAB-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.11
Rot. Bonds1

About 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole

3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole (PubChem CID 71025407) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole
PubChem CID71025407
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole
SMILESCc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N/c1-9-3-4-17(8-9)12-6-10(2)5-11(7-12)13(14,15)16/h3-8H,1-2H3
InChIKeyXJUAVKJKEHDMAB-UHFFFAOYSA-N
XLogP4.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole (CID 71025407) is 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole is Cc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is XJUAVKJKEHDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-9-3-4-17(8-9)12-6-10(2)5-11(7-12)13(14,15)16/h3-8H,1-2H3.
What are the key properties of 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole?
3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 239.24 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 71025407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).