2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine

C8H16FNO — CID 176568451

IUPAC2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCCC1(COC)CC(F)CN1
InChIInChI=1S/C8H16FNO/c1-3-8(6-11-2)4-7(9)5-10-8/h7,10H,3-6H2,1-2H3
InChIKeyBAVDXOBXQOJZHN-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine

2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine (PubChem CID 176568451) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
PubChem CID176568451
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCCC1(COC)CC(F)CN1
InChIInChI=1S/C8H16FNO/c1-3-8(6-11-2)4-7(9)5-10-8/h7,10H,3-6H2,1-2H3
InChIKeyBAVDXOBXQOJZHN-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine (CID 176568451) is 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine is CCC1(COC)CC(F)CN1.
What is the InChIKey of 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The InChIKey is BAVDXOBXQOJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-8(6-11-2)4-7(9)5-10-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 176568451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).