3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine

C10H18FN — CID 130621575

IUPAC3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CCC(C)(F)C1
InChIInChI=1S/C10H18FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h1,4-8H2,2-3H3
InChIKeyQRCKSSNRQZTRAN-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds3

About 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine

3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine (PubChem CID 130621575) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine
PubChem CID130621575
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCN1CCC(C)(F)C1
InChIInChI=1S/C10H18FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h1,4-8H2,2-3H3
InChIKeyQRCKSSNRQZTRAN-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
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 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine (CID 130621575) is 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine is C=C(C)CCN1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine?
The InChIKey is QRCKSSNRQZTRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h1,4-8H2,2-3H3.
What are the key properties of 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine?
3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(3-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 130621575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).