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

C7H12F3NO — CID 18722933

IUPAC1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCN1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-2-6(4-11)12-5-7(8,9)10/h6H,2-5H2,1H3
InChIKeyANDJPDWGGOAIDR-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine

1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine (PubChem CID 18722933) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
PubChem CID18722933
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCN1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-2-6(4-11)12-5-7(8,9)10/h6H,2-5H2,1H3
InChIKeyANDJPDWGGOAIDR-UHFFFAOYSA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine (CID 18722933) is 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine is CN1CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The InChIKey is ANDJPDWGGOAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-3-2-6(4-11)12-5-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine is sourced from PubChem (CID 18722933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).