3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine

C10H20FN — CID 76797082

IUPAC3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(CC(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)5-8-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3
InChIKeyDXQLVJLMEKRFDV-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.32
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine

3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine (PubChem CID 76797082) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
PubChem CID76797082
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(CC(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)5-8-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3
InChIKeyDXQLVJLMEKRFDV-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine (CID 76797082) is 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine is CN1CC(F)C(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The InChIKey is DXQLVJLMEKRFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)5-8-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 76797082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).