(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine

C7H14FNO — CID 66596454

IUPAC(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
SMILESCCOC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyZATDHEAYANQSJS-BQBZGAKWSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine

(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine (PubChem CID 66596454) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
PubChem CID66596454
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
SMILESCCOC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyZATDHEAYANQSJS-BQBZGAKWSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine?
The IUPAC name of (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine (CID 66596454) is (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine.
What is the SMILES notation for (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine?
The canonical SMILES for (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine is CCOC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine?
The InChIKey is ZATDHEAYANQSJS-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-10-5-7-3-6(8)4-9-7/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine?
(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine is sourced from PubChem (CID 66596454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).