2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine

C8H14F3NO2 — CID 106937790

IUPAC2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine
SMILESFC(F)(F)COCOCC1CCCN1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-14-6-13-4-7-2-1-3-12-7/h7,12H,1-6H2
InChIKeyKMCYIGAPIFUWJO-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.29
Rot. Bonds5

About 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine

2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine (PubChem CID 106937790) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine
PubChem CID106937790
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine
SMILESFC(F)(F)COCOCC1CCCN1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-14-6-13-4-7-2-1-3-12-7/h7,12H,1-6H2
InChIKeyKMCYIGAPIFUWJO-UHFFFAOYSA-N
XLogP1.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine (CID 106937790) is 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine is FC(F)(F)COCOCC1CCCN1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine?
The InChIKey is KMCYIGAPIFUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)5-14-6-13-4-7-2-1-3-12-7/h7,12H,1-6H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine?
2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine has a molecular weight of 213.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethoxymethyl)pyrrolidine is sourced from PubChem (CID 106937790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).