(3R)-3-(1-fluoropent-4-enyl)pyrrolidine

C9H16FN — CID 170053195

IUPAC(3R)-3-(1-fluoropent-4-enyl)pyrrolidine
SMILESC=CCCC(F)[C@@H]1CCNC1
InChIInChI=1S/C9H16FN/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9,11H,1,3-7H2/t8-,9?/m1/s1
InChIKeyINLZHHXKMZZNTJ-VEDVMXKPSA-N
MW157.23 g/mol
LogP1.90
Rot. Bonds4

About (3R)-3-(1-fluoropent-4-enyl)pyrrolidine

(3R)-3-(1-fluoropent-4-enyl)pyrrolidine (PubChem CID 170053195) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3R)-3-(1-fluoropent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(1-fluoropent-4-enyl)pyrrolidine
PubChem CID170053195
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3R)-3-(1-fluoropent-4-enyl)pyrrolidine
SMILESC=CCCC(F)[C@@H]1CCNC1
InChIInChI=1S/C9H16FN/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9,11H,1,3-7H2/t8-,9?/m1/s1
InChIKeyINLZHHXKMZZNTJ-VEDVMXKPSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.90
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 (3R)-3-(1-fluoropent-4-enyl)pyrrolidine?
The IUPAC name of (3R)-3-(1-fluoropent-4-enyl)pyrrolidine (CID 170053195) is (3R)-3-(1-fluoropent-4-enyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(1-fluoropent-4-enyl)pyrrolidine?
The canonical SMILES for (3R)-3-(1-fluoropent-4-enyl)pyrrolidine is C=CCCC(F)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(1-fluoropent-4-enyl)pyrrolidine?
The InChIKey is INLZHHXKMZZNTJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9,11H,1,3-7H2/t8-,9?/m1/s1.
What are the key properties of (3R)-3-(1-fluoropent-4-enyl)pyrrolidine?
(3R)-3-(1-fluoropent-4-enyl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-fluoropent-4-enyl)pyrrolidine is sourced from PubChem (CID 170053195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).