(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine

C8H16FNO — CID 89317886

IUPAC(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCCN1C[C@H](F)C[C@H]1COC
InChIInChI=1S/C8H16FNO/c1-3-10-5-7(9)4-8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyHMUBYBKPTYKNEB-SFYZADRCSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine

(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine (PubChem CID 89317886) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
PubChem CID89317886
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCCN1C[C@H](F)C[C@H]1COC
InChIInChI=1S/C8H16FNO/c1-3-10-5-7(9)4-8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyHMUBYBKPTYKNEB-SFYZADRCSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine (CID 89317886) is (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine is CCN1C[C@H](F)C[C@H]1COC.
What is the InChIKey of (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The InChIKey is HMUBYBKPTYKNEB-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-10-5-7(9)4-8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 89317886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).