2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine

C8H14F3NO — CID 118615859

IUPAC2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCOCC1(CC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3NO/c1-13-6-7(3-2-4-12-7)5-8(9,10)11/h12H,2-6H2,1H3
InChIKeyBUYSFUMGHZTKPV-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

About 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine

2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 118615859) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID118615859
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCOCC1(CC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3NO/c1-13-6-7(3-2-4-12-7)5-8(9,10)11/h12H,2-6H2,1H3
InChIKeyBUYSFUMGHZTKPV-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine (CID 118615859) is 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine is COCC1(CC(F)(F)F)CCCN1.
What is the InChIKey of 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is BUYSFUMGHZTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-6-7(3-2-4-12-7)5-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 118615859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).