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

C10H18F3N — CID 122606396

IUPAC3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N/c1-9(2,3)8-4-5-14(6-8)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyHRNQRBDRMFGPGW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds1

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

3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 122606396) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID122606396
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N/c1-9(2,3)8-4-5-14(6-8)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyHRNQRBDRMFGPGW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 122606396) is 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)(C)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is HRNQRBDRMFGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-9(2,3)8-4-5-14(6-8)7-10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 122606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).