(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine

C11H22FNO — CID 168881027

IUPAC(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine
SMILESCCC[C@]1(COCC)C[C@H](F)CN1C
InChIInChI=1S/C11H22FNO/c1-4-6-11(9-14-5-2)7-10(12)8-13(11)3/h10H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYZTLRUMODZBJKK-WDEREUQCSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds5

About (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine

(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine (PubChem CID 168881027) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine
PubChem CID168881027
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine
SMILESCCC[C@]1(COCC)C[C@H](F)CN1C
InChIInChI=1S/C11H22FNO/c1-4-6-11(9-14-5-2)7-10(12)8-13(11)3/h10H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYZTLRUMODZBJKK-WDEREUQCSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine?
The IUPAC name of (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine (CID 168881027) is (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine.
What is the SMILES notation for (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine?
The canonical SMILES for (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine is CCC[C@]1(COCC)C[C@H](F)CN1C.
What is the InChIKey of (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine?
The InChIKey is YZTLRUMODZBJKK-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-6-11(9-14-5-2)7-10(12)8-13(11)3/h10H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine?
(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine is sourced from PubChem (CID 168881027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).