2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole

C11H16F3N — CID 59159512

IUPAC2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
SMILESCC(C)(C)C(CC1=NC=CC1)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-10(2,3)9(11(12,13)14)7-8-5-4-6-15-8/h4,6,9H,5,7H2,1-3H3
InChIKeyGJFNWIZPCMBQMQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.96
Rot. Bonds2

About 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole

2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole (PubChem CID 59159512) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
PubChem CID59159512
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
SMILESCC(C)(C)C(CC1=NC=CC1)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-10(2,3)9(11(12,13)14)7-8-5-4-6-15-8/h4,6,9H,5,7H2,1-3H3
InChIKeyGJFNWIZPCMBQMQ-UHFFFAOYSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-4-methyl-2-(3,3,3-trifluoropropyl)-3H-pyridine
CID 129191466
4-Tert-butyl-2-(3,3,3-trifluoropropyl)-3,4-dihydropyridine
CID 134216099
2-(2,2-Difluoropentyl)-3,3-dimethylpyrrole
CID 141403109
2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
CID 144526431
2,4-ditert-butyl-4-methyl-3H-pyridine
CID 68817500
2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
CID 118967359
4-Tert-butyl-2-pentyl-3,4-dihydropyridine
CID 129191503
4-Tert-butyl-2-propyl-3,4-dihydropyridine
CID 134277249
2-(2,2-Dimethylpropyl)-4-methyl-3,4-dihydropyridine
CID 154974107
2-Tert-butyl-3-propan-2-yl-3,4-dihydropyridine
CID 156522380

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole?
The IUPAC name of 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole (CID 59159512) is 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole.
What is the SMILES notation for 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole?
The canonical SMILES for 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole is CC(C)(C)C(CC1=NC=CC1)C(F)(F)F.
What is the InChIKey of 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole?
The InChIKey is GJFNWIZPCMBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-10(2,3)9(11(12,13)14)7-8-5-4-6-15-8/h4,6,9H,5,7H2,1-3H3.
What are the key properties of 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole?
2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole has a molecular weight of 219.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole is sourced from PubChem (CID 59159512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).