3-[2-(trifluoromethoxy)ethyl]pyrrolidine

C7H12F3NO — CID 104680513

IUPAC3-[2-(trifluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)OCCC1CCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-4-2-6-1-3-11-5-6/h6,11H,1-5H2
InChIKeyCJPUJSUWGNHGMP-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.52
Rot. Bonds3

About 3-[2-(trifluoromethoxy)ethyl]pyrrolidine

3-[2-(trifluoromethoxy)ethyl]pyrrolidine (PubChem CID 104680513) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethyl]pyrrolidine
PubChem CID104680513
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-[2-(trifluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)OCCC1CCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-4-2-6-1-3-11-5-6/h6,11H,1-5H2
InChIKeyCJPUJSUWGNHGMP-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(trifluoromethoxy)ethyl]pyrrolidine (CID 104680513) is 3-[2-(trifluoromethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethyl]pyrrolidine is FC(F)(F)OCCC1CCNC1.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethyl]pyrrolidine?
The InChIKey is CJPUJSUWGNHGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-4-2-6-1-3-11-5-6/h6,11H,1-5H2.
What are the key properties of 3-[2-(trifluoromethoxy)ethyl]pyrrolidine?
3-[2-(trifluoromethoxy)ethyl]pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 104680513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).