1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine

C9H8F9N — CID 162455181

IUPAC1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine
SMILESF/C(=C(/N1CCCC1)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9N/c10-5(7(11,12)9(16,17)18)6(8(13,14)15)19-3-1-2-4-19/h1-4H2/b6-5+
InChIKeyGBKGSLIGKNDNCD-AATRIKPKSA-N
MW301.15 g/mol
LogP4.02
Rot. Bonds2

About 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine

1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine (PubChem CID 162455181) has the molecular formula C9H8F9N and a molecular weight of 301.15 g/mol. Its IUPAC name is 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine
PubChem CID162455181
Molecular FormulaC9H8F9N
Molecular Weight301.15 g/mol
Exact Mass301.05
IUPAC Name1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine
SMILESF/C(=C(/N1CCCC1)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9N/c10-5(7(11,12)9(16,17)18)6(8(13,14)15)19-3-1-2-4-19/h1-4H2/b6-5+
InChIKeyGBKGSLIGKNDNCD-AATRIKPKSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine (CID 162455181) is 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine is F/C(=C(/N1CCCC1)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine?
The InChIKey is GBKGSLIGKNDNCD-AATRIKPKSA-N. The full InChI is InChI=1S/C9H8F9N/c10-5(7(11,12)9(16,17)18)6(8(13,14)15)19-3-1-2-4-19/h1-4H2/b6-5+.
What are the key properties of 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine?
1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine has a molecular weight of 301.15 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 162455181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).