4-fluoro-2-(propoxymethyl)pyrrolidine

C8H16FNO — CID 176568290

IUPAC4-fluoro-2-(propoxymethyl)pyrrolidine
SMILESCCCOCC1CC(F)CN1
InChIInChI=1S/C8H16FNO/c1-2-3-11-6-8-4-7(9)5-10-8/h7-8,10H,2-6H2,1H3
InChIKeyZZWHKQIJSSNIAF-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About 4-fluoro-2-(propoxymethyl)pyrrolidine

4-fluoro-2-(propoxymethyl)pyrrolidine (PubChem CID 176568290) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-fluoro-2-(propoxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-2-(propoxymethyl)pyrrolidine
PubChem CID176568290
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-fluoro-2-(propoxymethyl)pyrrolidine
SMILESCCCOCC1CC(F)CN1
InChIInChI=1S/C8H16FNO/c1-2-3-11-6-8-4-7(9)5-10-8/h7-8,10H,2-6H2,1H3
InChIKeyZZWHKQIJSSNIAF-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
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 4-fluoro-2-(propoxymethyl)pyrrolidine?
The IUPAC name of 4-fluoro-2-(propoxymethyl)pyrrolidine (CID 176568290) is 4-fluoro-2-(propoxymethyl)pyrrolidine.
What is the SMILES notation for 4-fluoro-2-(propoxymethyl)pyrrolidine?
The canonical SMILES for 4-fluoro-2-(propoxymethyl)pyrrolidine is CCCOCC1CC(F)CN1.
What is the InChIKey of 4-fluoro-2-(propoxymethyl)pyrrolidine?
The InChIKey is ZZWHKQIJSSNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-11-6-8-4-7(9)5-10-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-fluoro-2-(propoxymethyl)pyrrolidine?
4-fluoro-2-(propoxymethyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(propoxymethyl)pyrrolidine is sourced from PubChem (CID 176568290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).