4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole

C12H10F3N — CID 123412423

IUPAC4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
SMILESCc1cc(C(F)(F)F)n(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N/c1-9-7-11(12(13,14)15)16(8-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOEZHPGGHAXNBFY-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.80
Rot. Bonds1

About 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole

4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole (PubChem CID 123412423) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
PubChem CID123412423
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
SMILESCc1cc(C(F)(F)F)n(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N/c1-9-7-11(12(13,14)15)16(8-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOEZHPGGHAXNBFY-UHFFFAOYSA-N
XLogP3.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine
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5-methyl-1-[3-(trifluoromethyl)phenyl]pyridine-2-thione
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1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
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5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
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1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
ethane;toluene;trifluoromethylbenzene
CID 161105309
4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
CID 177106243
2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole
CID 132559823
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane
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1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
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CID 58479630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole?
The IUPAC name of 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole (CID 123412423) is 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole.
What is the SMILES notation for 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole?
The canonical SMILES for 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole is Cc1cc(C(F)(F)F)n(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole?
The InChIKey is OEZHPGGHAXNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c1-9-7-11(12(13,14)15)16(8-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole?
4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole has a molecular weight of 225.21 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole is sourced from PubChem (CID 123412423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).