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

C10H20FN — CID 58266757

IUPAC1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
SMILESCC(C)(C)CN1CCC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2,3)7-12-6-5-10(4,11)8-12/h5-8H2,1-4H3
InChIKeyYKAGYNPPMVIIOA-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds1

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

1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine (PubChem CID 58266757) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
PubChem CID58266757
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
SMILESCC(C)(C)CN1CCC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2,3)7-12-6-5-10(4,11)8-12/h5-8H2,1-4H3
InChIKeyYKAGYNPPMVIIOA-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1-pyrrolidinobutane
CID 12869920
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
N-(2'-Methylbutyl)pyrrolidine
CID 15180078
fluoro-N-propyl-3,4-dimethylpyrrolidine
CID 129762197
3-Fluoro-1-(2-methylpropyl)pyrrolidine
CID 20672260
3-(Fluoromethyl)-1-methylpyrrolidine
CID 22903693
1-(4-Fluorobutyl)pyrrolidine
CID 44603982
(3S)-1-tert-butyl-3-fluoropyrrolidine
CID 57559183
(3R)-1-tert-butyl-3-fluoropyrrolidine
CID 57559223
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817
(3S)-1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 57910798

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine (CID 58266757) is 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine is CC(C)(C)CN1CCC(C)(F)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine?
The InChIKey is YKAGYNPPMVIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2,3)7-12-6-5-10(4,11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine?
1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 58266757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).