3-[(E)-2-fluoropent-3-enoxy]pyrrolidine

C9H16FNO — CID 139376303

IUPAC3-[(E)-2-fluoropent-3-enoxy]pyrrolidine
SMILESC/C=C/C(F)COC1CCNC1
InChIInChI=1S/C9H16FNO/c1-2-3-8(10)7-12-9-4-5-11-6-9/h2-3,8-9,11H,4-7H2,1H3/b3-2+
InChIKeyIGLVORNJOPVROD-NSCUHMNNSA-N
MW173.23 g/mol
LogP1.28
Rot. Bonds4

About 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine

3-[(E)-2-fluoropent-3-enoxy]pyrrolidine (PubChem CID 139376303) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-2-fluoropent-3-enoxy]pyrrolidine
PubChem CID139376303
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-[(E)-2-fluoropent-3-enoxy]pyrrolidine
SMILESC/C=C/C(F)COC1CCNC1
InChIInChI=1S/C9H16FNO/c1-2-3-8(10)7-12-9-4-5-11-6-9/h2-3,8-9,11H,4-7H2,1H3/b3-2+
InChIKeyIGLVORNJOPVROD-NSCUHMNNSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine?
The IUPAC name of 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine (CID 139376303) is 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine.
What is the SMILES notation for 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine?
The canonical SMILES for 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine is C/C=C/C(F)COC1CCNC1.
What is the InChIKey of 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine?
The InChIKey is IGLVORNJOPVROD-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-3-8(10)7-12-9-4-5-11-6-9/h2-3,8-9,11H,4-7H2,1H3/b3-2+.
What are the key properties of 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine?
3-[(E)-2-fluoropent-3-enoxy]pyrrolidine has a molecular weight of 173.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-fluoropent-3-enoxy]pyrrolidine is sourced from PubChem (CID 139376303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).