4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine

C10H18FN — CID 91554489

IUPAC4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)C1CC(C)(F)CN1
InChIInChI=1S/C10H18FN/c1-7(2)8(3)9-5-10(4,11)6-12-9/h7,9,12H,3,5-6H2,1-2,4H3
InChIKeyWZINQRKGQFPQHY-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds2

About 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine

4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine (PubChem CID 91554489) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
PubChem CID91554489
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)C1CC(C)(F)CN1
InChIInChI=1S/C10H18FN/c1-7(2)8(3)9-5-10(4,11)6-12-9/h7,9,12H,3,5-6H2,1-2,4H3
InChIKeyWZINQRKGQFPQHY-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
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

(2R,4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 178101519
7-methyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
CID 134414937
(2S,4S)-4-fluoro-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 89494790
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
CID 131969264
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine
CID 147703077
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
2-(fluoromethyl)-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496747

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine (CID 91554489) is 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine is C=C(C(C)C)C1CC(C)(F)CN1.
What is the InChIKey of 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The InChIKey is WZINQRKGQFPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-7(2)8(3)9-5-10(4,11)6-12-9/h7,9,12H,3,5-6H2,1-2,4H3.
What are the key properties of 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine?
4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 91554489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).