(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine

C7H12FN — CID 137454958

IUPAC(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H12FN/c1-2-3-7-4-6(8)5-9-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeySOMMSBSCGTXRPT-WUCZRCLBSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine

(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 137454958) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine
PubChem CID137454958
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H12FN/c1-2-3-7-4-6(8)5-9-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeySOMMSBSCGTXRPT-WUCZRCLBSA-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'}

Analyze (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine (CID 137454958) is (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine is C/C=C/[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is SOMMSBSCGTXRPT-WUCZRCLBSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-3-7-4-6(8)5-9-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine?
(2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine 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 (2S,4R)-4-fluoro-2-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 137454958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).