(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine

C7H12FN — CID 135265939

IUPAC(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine
SMILESC=C[C@H]1CC(C)(F)CN1
InChIInChI=1S/C7H12FN/c1-3-6-4-7(2,8)5-9-6/h3,6,9H,1,4-5H2,2H3/t6-,7?/m0/s1
InChIKeyORQOVWDRTOJGBN-PKPIPKONSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine

(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine (PubChem CID 135265939) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine
PubChem CID135265939
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine
SMILESC=C[C@H]1CC(C)(F)CN1
InChIInChI=1S/C7H12FN/c1-3-6-4-7(2,8)5-9-6/h3,6,9H,1,4-5H2,2H3/t6-,7?/m0/s1
InChIKeyORQOVWDRTOJGBN-PKPIPKONSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
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 (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine?
The IUPAC name of (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine (CID 135265939) is (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine.
What is the SMILES notation for (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine?
The canonical SMILES for (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine is C=C[C@H]1CC(C)(F)CN1.
What is the InChIKey of (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine?
The InChIKey is ORQOVWDRTOJGBN-PKPIPKONSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-6-4-7(2,8)5-9-6/h3,6,9H,1,4-5H2,2H3/t6-,7?/m0/s1.
What are the key properties of (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine?
(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine is sourced from PubChem (CID 135265939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).