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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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).