1-(3-ethoxypropyl)-3-fluoropyrrolidine

C9H18FNO — CID 142317673

IUPAC1-(3-ethoxypropyl)-3-fluoropyrrolidine
SMILESCCOCCCN1CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3
InChIKeyZHYATYDTYGJMBV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-ethoxypropyl)-3-fluoropyrrolidine

1-(3-ethoxypropyl)-3-fluoropyrrolidine (PubChem CID 142317673) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-fluoropyrrolidine
PubChem CID142317673
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-ethoxypropyl)-3-fluoropyrrolidine
SMILESCCOCCCN1CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3
InChIKeyZHYATYDTYGJMBV-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-fluoropyrrolidine (CID 142317673) is 1-(3-ethoxypropyl)-3-fluoropyrrolidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-fluoropyrrolidine is CCOCCCN1CCC(F)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The InChIKey is ZHYATYDTYGJMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)-3-fluoropyrrolidine?
1-(3-ethoxypropyl)-3-fluoropyrrolidine 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 1-(3-ethoxypropyl)-3-fluoropyrrolidine is sourced from PubChem (CID 142317673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).