1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine

C12H24FNO — CID 134271510

IUPAC1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine
SMILESCC(F)OC1CCN(CCC(C)(C)C)C1
InChIInChI=1S/C12H24FNO/c1-10(13)15-11-5-7-14(9-11)8-6-12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCLGUCZPPVBETED-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine

1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine (PubChem CID 134271510) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine
PubChem CID134271510
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine
SMILESCC(F)OC1CCN(CCC(C)(C)C)C1
InChIInChI=1S/C12H24FNO/c1-10(13)15-11-5-7-14(9-11)8-6-12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCLGUCZPPVBETED-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine (CID 134271510) is 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine is CC(F)OC1CCN(CCC(C)(C)C)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine?
The InChIKey is CLGUCZPPVBETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(13)15-11-5-7-14(9-11)8-6-12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine?
1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-(1-fluoroethoxy)pyrrolidine is sourced from PubChem (CID 134271510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).