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

C8H9F6N — CID 153363765

IUPAC1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine
SMILESF/C=C(/N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F6N/c9-5-6(15-3-1-2-4-15)7(10,11)8(12,13)14/h5H,1-4H2/b6-5+
InChIKeyUBZHYJYMDGXFIL-AATRIKPKSA-N
MW233.15 g/mol
LogP3.09
Rot. Bonds2

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

1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine (PubChem CID 153363765) has the molecular formula C8H9F6N and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine
PubChem CID153363765
Molecular FormulaC8H9F6N
Molecular Weight233.15 g/mol
Exact Mass233.06
IUPAC Name1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine
SMILESF/C=C(/N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F6N/c9-5-6(15-3-1-2-4-15)7(10,11)8(12,13)14/h5H,1-4H2/b6-5+
InChIKeyUBZHYJYMDGXFIL-AATRIKPKSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.09
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)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine (CID 153363765) is 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine is F/C=C(/N1CCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine?
The InChIKey is UBZHYJYMDGXFIL-AATRIKPKSA-N. The full InChI is InChI=1S/C8H9F6N/c9-5-6(15-3-1-2-4-15)7(10,11)8(12,13)14/h5H,1-4H2/b6-5+.
What are the key properties of 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine?
1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine has a molecular weight of 233.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine is sourced from PubChem (CID 153363765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).