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

C9H11F6N — CID 153363768

IUPAC1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
SMILESC/C(F)=C(\N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F6N/c1-6(10)7(16-4-2-3-5-16)8(11,12)9(13,14)15/h2-5H2,1H3/b7-6+
InChIKeyVORGDBNQBJXSJG-VOTSOKGWSA-N
MW247.18 g/mol
LogP3.48
Rot. Bonds2

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

1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine (PubChem CID 153363768) has the molecular formula C9H11F6N and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
PubChem CID153363768
Molecular FormulaC9H11F6N
Molecular Weight247.18 g/mol
Exact Mass247.08
IUPAC Name1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
SMILESC/C(F)=C(\N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F6N/c1-6(10)7(16-4-2-3-5-16)8(11,12)9(13,14)15/h2-5H2,1H3/b7-6+
InChIKeyVORGDBNQBJXSJG-VOTSOKGWSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.48
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)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine?
The IUPAC name of 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine (CID 153363768) is 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine is C/C(F)=C(\N1CCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine?
The InChIKey is VORGDBNQBJXSJG-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11F6N/c1-6(10)7(16-4-2-3-5-16)8(11,12)9(13,14)15/h2-5H2,1H3/b7-6+.
What are the key properties of 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine?
1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine has a molecular weight of 247.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine is sourced from PubChem (CID 153363768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).