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

C10H18F3N — CID 22972511

IUPAC2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2,3)8-5-4-6-14(8)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyZUNFLAYDWGVXBR-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds1

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

2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 22972511) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID22972511
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2,3)8-5-4-6-14(8)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyZUNFLAYDWGVXBR-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 22972511) is 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)(C)C1CCCN1CC(F)(F)F.
What is the InChIKey of 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is ZUNFLAYDWGVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-9(2,3)8-5-4-6-14(8)7-10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 22972511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).