3-(2,2,2-trifluoroethoxy)pyrrolidine

C6H10F3NO — CID 62329448

IUPAC3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESFC(F)(F)COC1CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-5-1-2-10-3-5/h5,10H,1-4H2
InChIKeyDDONDEJNLINCKA-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)pyrrolidine

3-(2,2,2-trifluoroethoxy)pyrrolidine (PubChem CID 62329448) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pyrrolidine
PubChem CID62329448
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESFC(F)(F)COC1CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-11-5-1-2-10-3-5/h5,10H,1-4H2
InChIKeyDDONDEJNLINCKA-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)pyrrolidine?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pyrrolidine (CID 62329448) is 3-(2,2,2-trifluoroethoxy)pyrrolidine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pyrrolidine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pyrrolidine is FC(F)(F)COC1CCNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pyrrolidine?
The InChIKey is DDONDEJNLINCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-11-5-1-2-10-3-5/h5,10H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)pyrrolidine?
3-(2,2,2-trifluoroethoxy)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pyrrolidine is sourced from PubChem (CID 62329448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).