2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole

C20H20FN — CID 53416298

IUPAC2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20FN/c1-14(2)16-7-11-19(12-8-16)22-15(3)4-13-20(22)17-5-9-18(21)10-6-17/h4-14H,1-3H3
InChIKeyPEFGXYOPIWHJIA-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.72
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole

2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole (PubChem CID 53416298) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
PubChem CID53416298
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20FN/c1-14(2)16-7-11-19(12-8-16)22-15(3)4-13-20(22)17-5-9-18(21)10-6-17/h4-14H,1-3H3
InChIKeyPEFGXYOPIWHJIA-UHFFFAOYSA-N
XLogP5.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.72
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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Related Compounds

5-[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]-2-methylaniline
CID 91673180
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
2-[4-[2-(4-chlorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 155811236
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
N,N-dimethyl-4-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]aniline
CID 91755913
1-(3-chloro-4-fluorophenyl)-2-methyl-5-phenylpyrrole
CID 4763712
2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
CID 86230988
2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CID 10663833
1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82085166
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole (CID 53416298) is 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole is Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole?
The InChIKey is PEFGXYOPIWHJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c1-14(2)16-7-11-19(12-8-16)22-15(3)4-13-20(22)17-5-9-18(21)10-6-17/h4-14H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole?
2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole has a molecular weight of 293.39 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole is sourced from PubChem (CID 53416298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).