2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole

C24H24F3N — CID 3021783

IUPAC2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N/c1-17-10-15-23(28(17)22-9-5-8-21(16-22)24(25,26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3
InChIKeyWEXLFTYBUPHQAK-UHFFFAOYSA-N
MW383.46 g/mol
LogP7.52
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole

2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole (PubChem CID 3021783) has the molecular formula C24H24F3N and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole
PubChem CID3021783
Molecular FormulaC24H24F3N
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N/c1-17-10-15-23(28(17)22-9-5-8-21(16-22)24(25,26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3
InChIKeyWEXLFTYBUPHQAK-UHFFFAOYSA-N
XLogP7.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole (CID 3021783) is 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole is Cc1ccc(-c2ccc(C3CCCCC3)cc2)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is WEXLFTYBUPHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N/c1-17-10-15-23(28(17)22-9-5-8-21(16-22)24(25,26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole?
2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 383.46 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 3021783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).