2-methyl-3-(trifluoromethyl)-2H-pyrrole

C6H6F3N — CID 123603361

IUPAC2-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1N=CC=C1C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-4-5(2-3-10-4)6(7,8)9/h2-4H,1H3
InChIKeyJDBMDNHAWBFUMI-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.95
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-2H-pyrrole

2-methyl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 123603361) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID123603361
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name2-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1N=CC=C1C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-4-5(2-3-10-4)6(7,8)9/h2-4H,1H3
InChIKeyJDBMDNHAWBFUMI-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-2H-pyrrole (CID 123603361) is 2-methyl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-2H-pyrrole is CC1N=CC=C1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is JDBMDNHAWBFUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-4-5(2-3-10-4)6(7,8)9/h2-4H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-2H-pyrrole?
2-methyl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 149.11 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 123603361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).