1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine

C9H12F5N — CID 134384144

IUPAC1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine
SMILESC=CC(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C9H12F5N/c1-2-8(11,12)7(10)9(13,14)15-5-3-4-6-15/h2,7H,1,3-6H2
InChIKeyMBQGNPAFYJWYGW-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.83
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine

1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine (PubChem CID 134384144) has the molecular formula C9H12F5N and a molecular weight of 229.19 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine
PubChem CID134384144
Molecular FormulaC9H12F5N
Molecular Weight229.19 g/mol
Exact Mass229.09
IUPAC Name1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine
SMILESC=CC(F)(F)C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C9H12F5N/c1-2-8(11,12)7(10)9(13,14)15-5-3-4-6-15/h2,7H,1,3-6H2
InChIKeyMBQGNPAFYJWYGW-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine (CID 134384144) is 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine is C=CC(F)(F)C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine?
The InChIKey is MBQGNPAFYJWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5N/c1-2-8(11,12)7(10)9(13,14)15-5-3-4-6-15/h2,7H,1,3-6H2.
What are the key properties of 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine?
1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine has a molecular weight of 229.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoropent-4-enyl)pyrrolidine is sourced from PubChem (CID 134384144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).