4-tert-butyl-2-(trifluoromethyl)pyrrolidine

C9H16F3N — CID 122428329

IUPAC4-tert-butyl-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1CNC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8(2,3)6-4-7(13-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyMLFOWRMODFRKJH-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds

About 4-tert-butyl-2-(trifluoromethyl)pyrrolidine

4-tert-butyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 122428329) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-tert-butyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-2-(trifluoromethyl)pyrrolidine
PubChem CID122428329
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-tert-butyl-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1CNC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-8(2,3)6-4-7(13-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyMLFOWRMODFRKJH-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-Dimethylpropyl)-2,2-dimethylpyrrolidine
CID 62952145
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
2,3,4,5-Tetramethylpyrrolidine
CID 20546029
2-Methyl-4-(1-methylethyl)pyrrolidine
CID 55288086
(2S,4S)-2-methyl-4-propan-2-ylpyrrolidine
CID 124130916
2,3-Dimethyl-2-(trifluoromethyl)pyrrolidine
CID 15672691
(3R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473034
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473063
3-Fluoro-4-(1-methylcyclopropyl)pyrrolidine
CID 59048024

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 4-tert-butyl-2-(trifluoromethyl)pyrrolidine (CID 122428329) is 4-tert-butyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 4-tert-butyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 4-tert-butyl-2-(trifluoromethyl)pyrrolidine is CC(C)(C)C1CNC(C(F)(F)F)C1.
What is the InChIKey of 4-tert-butyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is MLFOWRMODFRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8(2,3)6-4-7(13-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(trifluoromethyl)pyrrolidine?
4-tert-butyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 122428329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).