2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine

C12H24FNO — CID 58530382

IUPAC2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC(F)CC1CC(C)(C)C
InChIInChI=1S/C12H24FNO/c1-12(2,3)8-11-7-10(13)9-14(11)5-6-15-4/h10-11H,5-9H2,1-4H3
InChIKeyOVKZETMODCNVHX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine

2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine (PubChem CID 58530382) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine
PubChem CID58530382
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC(F)CC1CC(C)(C)C
InChIInChI=1S/C12H24FNO/c1-12(2,3)8-11-7-10(13)9-14(11)5-6-15-4/h10-11H,5-9H2,1-4H3
InChIKeyOVKZETMODCNVHX-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)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

(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 155459355
[4-[[4-fluoro-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
CID 166984323
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 164971372
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972119
2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
CID 156546441
(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 155459347

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine (CID 58530382) is 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine is COCCN1CC(F)CC1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is OVKZETMODCNVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-12(2,3)8-11-7-10(13)9-14(11)5-6-15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine?
2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-fluoro-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 58530382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).