2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole

C12H10F3N — CID 163645607

IUPAC2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc[nH]1
InChIInChI=1S/C12H10F3N/c1-8-4-5-9(12(13,14)15)7-10(8)11-3-2-6-16-11/h2-7,16H,1H3
InChIKeyIHYLUHXOOIJLIE-UHFFFAOYSA-N
MW225.21 g/mol
LogP4.01
Rot. Bonds1

About 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole

2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole (PubChem CID 163645607) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
PubChem CID163645607
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc[nH]1
InChIInChI=1S/C12H10F3N/c1-8-4-5-9(12(13,14)15)7-10(8)11-3-2-6-16-11/h2-7,16H,1H3
InChIKeyIHYLUHXOOIJLIE-UHFFFAOYSA-N
XLogP4.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-[3,8-dimethyl-6-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole
CID 59510151
4-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carbonitrile
CID 175289378
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106523086
4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 141428953
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 130243350
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
methyl 3-(1H-pyrrol-2-yl)-4-[4-(trifluoromethyl)anilino]benzoate
CID 138713524
2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 154468811

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole (CID 163645607) is 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole is Cc1ccc(C(F)(F)F)cc1-c1ccc[nH]1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole?
The InChIKey is IHYLUHXOOIJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c1-8-4-5-9(12(13,14)15)7-10(8)11-3-2-6-16-11/h2-7,16H,1H3.
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole?
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole has a molecular weight of 225.21 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole is sourced from PubChem (CID 163645607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).