3-fluoro-3-(propoxymethyl)pyrrolidine

C8H16FNO — CID 112564268

IUPAC3-fluoro-3-(propoxymethyl)pyrrolidine
SMILESCCCOCC1(F)CCNC1
InChIInChI=1S/C8H16FNO/c1-2-5-11-7-8(9)3-4-10-6-8/h10H,2-7H2,1H3
InChIKeyQOMUDXPPCUIHMK-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About 3-fluoro-3-(propoxymethyl)pyrrolidine

3-fluoro-3-(propoxymethyl)pyrrolidine (PubChem CID 112564268) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(propoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(propoxymethyl)pyrrolidine
PubChem CID112564268
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(propoxymethyl)pyrrolidine
SMILESCCCOCC1(F)CCNC1
InChIInChI=1S/C8H16FNO/c1-2-5-11-7-8(9)3-4-10-6-8/h10H,2-7H2,1H3
InChIKeyQOMUDXPPCUIHMK-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'}

Analyze 3-fluoro-3-(propoxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyltetrahydro-3-furanmethanamine
CID 22355252
3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(Ethoxymethyl)pyrrolidine
CID 45075569
3-[(2-Methoxyethoxy)methyl]pyrrolidine
CID 54595863
3-(Ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine
CID 88891893
3-(Ethoxymethyl)-3-fluoropyrrolidine
CID 90165371
3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
(3S)-3-[fluoro(methoxy)methyl]pyrrolidine
CID 91449518
3-Fluoro-3-(propan-2-yloxymethyl)pyrrolidine
CID 112564239
3-Fluoro-3-(methoxymethyl)pyrrolidine
CID 112564308
(3S)-3-fluoro-3-(methoxymethyl)pyrrolidine
CID 124592227
(3R)-3-fluoro-3-(methoxymethyl)pyrrolidine
CID 124592229

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(propoxymethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(propoxymethyl)pyrrolidine (CID 112564268) is 3-fluoro-3-(propoxymethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(propoxymethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(propoxymethyl)pyrrolidine is CCCOCC1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-(propoxymethyl)pyrrolidine?
The InChIKey is QOMUDXPPCUIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-5-11-7-8(9)3-4-10-6-8/h10H,2-7H2,1H3.
What are the key properties of 3-fluoro-3-(propoxymethyl)pyrrolidine?
3-fluoro-3-(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 3-fluoro-3-(propoxymethyl)pyrrolidine is sourced from PubChem (CID 112564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).