2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

C13H26FNO — CID 175612381

IUPAC2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(F)OCC1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H26FNO/c1-9(2)13-7-6-12(8-16-11(5)14)15(13)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyFLEPYIFGMIPUJX-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.22
Rot. Bonds5

About 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 175612381) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID175612381
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(F)OCC1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H26FNO/c1-9(2)13-7-6-12(8-16-11(5)14)15(13)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyFLEPYIFGMIPUJX-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 175612381) is 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is CC(F)OCC1CCC(C(C)C)N1C(C)C.
What is the InChIKey of 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is FLEPYIFGMIPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-9(2)13-7-6-12(8-16-11(5)14)15(13)10(3)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 231.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 175612381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).