2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine

C9H16FN — CID 131064786

IUPAC2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)(F)CC1CCCN1
InChIInChI=1S/C9H16FN/c1-3-9(2,10)7-8-5-4-6-11-8/h3,8,11H,1,4-7H2,2H3
InChIKeyBAGVQHMYNTXBHK-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine

2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine (PubChem CID 131064786) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
PubChem CID131064786
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)(F)CC1CCCN1
InChIInChI=1S/C9H16FN/c1-3-9(2,10)7-8-5-4-6-11-8/h3,8,11H,1,4-7H2,2H3
InChIKeyBAGVQHMYNTXBHK-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
CID 142059557
2-prop-2-enyl(213C)azolidine
CID 173137372
2-(2-cyclopentyl-2-methylhex-5-enyl)piperidine
CID 58418700
2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
CID 105451153
2-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)-1H-pyrrole
CID 130992693
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
2-[2-fluoro-2-(3-methylcyclohexyl)propyl]piperidine
CID 113462336
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine
CID 116840300
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine (CID 131064786) is 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine is C=CC(C)(F)CC1CCCN1.
What is the InChIKey of 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine?
The InChIKey is BAGVQHMYNTXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-9(2,10)7-8-5-4-6-11-8/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine?
2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.04, 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-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 131064786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).