(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine

C7H12FN — CID 144716687

IUPAC(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
SMILESC=C[C@@H]1CN(C)C[C@@H]1F
InChIInChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyFJYNZBYVQNRRPU-RQJHMYQMSA-N
MW129.18 g/mol
LogP1.07
Rot. Bonds1

About (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine

(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine (PubChem CID 144716687) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
PubChem CID144716687
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
SMILESC=C[C@@H]1CN(C)C[C@@H]1F
InChIInChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyFJYNZBYVQNRRPU-RQJHMYQMSA-N
XLogP1.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.07
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 (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine (CID 144716687) is (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine is C=C[C@@H]1CN(C)C[C@@H]1F.
What is the InChIKey of (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine?
The InChIKey is FJYNZBYVQNRRPU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine?
(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 144716687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).