(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine

C9H18FNO — CID 143226929

IUPAC(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESCCOC[C@@H]1CCCN1CCF
InChIInChI=1S/C9H18FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyOFVOTDVVTFRUQP-VIFPVBQESA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine

(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine (PubChem CID 143226929) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine
PubChem CID143226929
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESCCOC[C@@H]1CCCN1CCF
InChIInChI=1S/C9H18FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyOFVOTDVVTFRUQP-VIFPVBQESA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine (CID 143226929) is (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine is CCOC[C@@H]1CCCN1CCF.
What is the InChIKey of (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is OFVOTDVVTFRUQP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-12-8-9-4-3-6-11(9)7-5-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine?
(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 143226929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).