(3S,4S)-3-ethenyl-4-fluoropyrrolidine

C6H10FN — CID 141285766

IUPAC(3S,4S)-3-ethenyl-4-fluoropyrrolidine
SMILESC=C[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FN/c1-2-5-3-8-4-6(5)7/h2,5-6,8H,1,3-4H2/t5-,6+/m0/s1
InChIKeyCAORSZYWKATWMQ-NTSWFWBYSA-N
MW115.15 g/mol
LogP0.73
Rot. Bonds1

About (3S,4S)-3-ethenyl-4-fluoropyrrolidine

(3S,4S)-3-ethenyl-4-fluoropyrrolidine (PubChem CID 141285766) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3S,4S)-3-ethenyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-ethenyl-4-fluoropyrrolidine
PubChem CID141285766
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(3S,4S)-3-ethenyl-4-fluoropyrrolidine
SMILESC=C[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H10FN/c1-2-5-3-8-4-6(5)7/h2,5-6,8H,1,3-4H2/t5-,6+/m0/s1
InChIKeyCAORSZYWKATWMQ-NTSWFWBYSA-N
XLogP0.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.73
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 (3S,4S)-3-ethenyl-4-fluoropyrrolidine?
The IUPAC name of (3S,4S)-3-ethenyl-4-fluoropyrrolidine (CID 141285766) is (3S,4S)-3-ethenyl-4-fluoropyrrolidine.
What is the SMILES notation for (3S,4S)-3-ethenyl-4-fluoropyrrolidine?
The canonical SMILES for (3S,4S)-3-ethenyl-4-fluoropyrrolidine is C=C[C@H]1CNC[C@H]1F.
What is the InChIKey of (3S,4S)-3-ethenyl-4-fluoropyrrolidine?
The InChIKey is CAORSZYWKATWMQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-5-3-8-4-6(5)7/h2,5-6,8H,1,3-4H2/t5-,6+/m0/s1.
What are the key properties of (3S,4S)-3-ethenyl-4-fluoropyrrolidine?
(3S,4S)-3-ethenyl-4-fluoropyrrolidine has a molecular weight of 115.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethenyl-4-fluoropyrrolidine is sourced from PubChem (CID 141285766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).