2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine

C9H16F3NO — CID 118615691

IUPAC2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCOCC1(CC(F)(F)F)CCCN1C
InChIInChI=1S/C9H16F3NO/c1-13-5-3-4-8(13,7-14-2)6-9(10,11)12/h3-7H2,1-2H3
InChIKeyFYYNNRIOCLHHEY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds3

About 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine

2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 118615691) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID118615691
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCOCC1(CC(F)(F)F)CCCN1C
InChIInChI=1S/C9H16F3NO/c1-13-5-3-4-8(13,7-14-2)6-9(10,11)12/h3-7H2,1-2H3
InChIKeyFYYNNRIOCLHHEY-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine (CID 118615691) is 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine is COCC1(CC(F)(F)F)CCCN1C.
What is the InChIKey of 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is FYYNNRIOCLHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-5-3-4-8(13,7-14-2)6-9(10,11)12/h3-7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 118615691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).