(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine

C9H18FNO — CID 168880792

IUPAC(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine
SMILESCCOC[C@@H]1C[C@](C)(F)CN1C
InChIInChI=1S/C9H18FNO/c1-4-12-6-8-5-9(2,10)7-11(8)3/h8H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyPNNJZBVJOCSISO-IUCAKERBSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine

(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine (PubChem CID 168880792) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine
PubChem CID168880792
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine
SMILESCCOC[C@@H]1C[C@](C)(F)CN1C
InChIInChI=1S/C9H18FNO/c1-4-12-6-8-5-9(2,10)7-11(8)3/h8H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyPNNJZBVJOCSISO-IUCAKERBSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine?
The IUPAC name of (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine (CID 168880792) is (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine.
What is the SMILES notation for (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine?
The canonical SMILES for (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine is CCOC[C@@H]1C[C@](C)(F)CN1C.
What is the InChIKey of (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine?
The InChIKey is PNNJZBVJOCSISO-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-12-6-8-5-9(2,10)7-11(8)3/h8H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine?
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine is sourced from PubChem (CID 168880792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).