2-(2-fluoro-2-methylbutyl)pyrrolidine

C9H18FN — CID 105431305

IUPAC2-(2-fluoro-2-methylbutyl)pyrrolidine
SMILESCCC(C)(F)CC1CCCN1
InChIInChI=1S/C9H18FN/c1-3-9(2,10)7-8-5-4-6-11-8/h8,11H,3-7H2,1-2H3
InChIKeyHSOZQTGQXGLDCW-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-fluoro-2-methylbutyl)pyrrolidine

2-(2-fluoro-2-methylbutyl)pyrrolidine (PubChem CID 105431305) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylbutyl)pyrrolidine
PubChem CID105431305
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-(2-fluoro-2-methylbutyl)pyrrolidine
SMILESCCC(C)(F)CC1CCCN1
InChIInChI=1S/C9H18FN/c1-3-9(2,10)7-8-5-4-6-11-8/h8,11H,3-7H2,1-2H3
InChIKeyHSOZQTGQXGLDCW-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
CID 131064786
2-[3-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]piperidine
CID 105411766
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
CID 105451153
2-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)-1H-pyrrole
CID 130992693
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-[2-fluoro-2-(3-methylcyclohexyl)propyl]piperidine
CID 113462336
pyrrolidin-2-ylmethanethiol
CID 15793333
3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
CID 113462354
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylbutyl)pyrrolidine?
The IUPAC name of 2-(2-fluoro-2-methylbutyl)pyrrolidine (CID 105431305) is 2-(2-fluoro-2-methylbutyl)pyrrolidine.
What is the SMILES notation for 2-(2-fluoro-2-methylbutyl)pyrrolidine?
The canonical SMILES for 2-(2-fluoro-2-methylbutyl)pyrrolidine is CCC(C)(F)CC1CCCN1.
What is the InChIKey of 2-(2-fluoro-2-methylbutyl)pyrrolidine?
The InChIKey is HSOZQTGQXGLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-9(2,10)7-8-5-4-6-11-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(2-fluoro-2-methylbutyl)pyrrolidine?
2-(2-fluoro-2-methylbutyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylbutyl)pyrrolidine is sourced from PubChem (CID 105431305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).