3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C11H20F3N — CID 122664531

IUPAC3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-9(2,3)10(4)5-6-15(7-10)8-11(12,13)14/h5-8H2,1-4H3
InChIKeyKEZQBVZZXGGZHL-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds1

About 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 122664531) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID122664531
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-9(2,3)10(4)5-6-15(7-10)8-11(12,13)14/h5-8H2,1-4H3
InChIKeyKEZQBVZZXGGZHL-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 122664531) is 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)(C)C1(C)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is KEZQBVZZXGGZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(2,3)10(4)5-6-15(7-10)8-11(12,13)14/h5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 122664531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).