3-methyl-4-(trifluoromethyl)-1H-pyrrole

C6H6F3N — CID 20709938

IUPAC3-methyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2-3,10H,1H3
InChIKeyFTILZXLZPUOAAT-UHFFFAOYSA-N
MW149.11 g/mol
LogP2.34
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-1H-pyrrole

3-methyl-4-(trifluoromethyl)-1H-pyrrole (PubChem CID 20709938) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-1H-pyrrole
PubChem CID20709938
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name3-methyl-4-(trifluoromethyl)-1H-pyrrole
SMILESCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2-3,10H,1H3
InChIKeyFTILZXLZPUOAAT-UHFFFAOYSA-N
XLogP2.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-1H-pyrrole (CID 20709938) is 3-methyl-4-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-1H-pyrrole is Cc1c[nH]cc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-1H-pyrrole?
The InChIKey is FTILZXLZPUOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2-3,10H,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-1H-pyrrole?
3-methyl-4-(trifluoromethyl)-1H-pyrrole has a molecular weight of 149.11 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 20709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).