2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine

C9H13F4N — CID 131420449

IUPAC2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(F)(F)C(F)F)C1CCCN1
InChIInChI=1S/C9H13F4N/c1-6(7-3-2-4-14-7)5-9(12,13)8(10)11/h5,7-8,14H,2-4H2,1H3/b6-5+
InChIKeyCUOCKOHTQBOAFD-AATRIKPKSA-N
MW211.20 g/mol
LogP2.59
Rot. Bonds3

About 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine

2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine (PubChem CID 131420449) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
PubChem CID131420449
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
SMILESC/C(=C\C(F)(F)C(F)F)C1CCCN1
InChIInChI=1S/C9H13F4N/c1-6(7-3-2-4-14-7)5-9(12,13)8(10)11/h5,7-8,14H,2-4H2,1H3/b6-5+
InChIKeyCUOCKOHTQBOAFD-AATRIKPKSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine?
The IUPAC name of 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine (CID 131420449) is 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine?
The canonical SMILES for 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine is C/C(=C\C(F)(F)C(F)F)C1CCCN1.
What is the InChIKey of 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine?
The InChIKey is CUOCKOHTQBOAFD-AATRIKPKSA-N. The full InChI is InChI=1S/C9H13F4N/c1-6(7-3-2-4-14-7)5-9(12,13)8(10)11/h5,7-8,14H,2-4H2,1H3/b6-5+.
What are the key properties of 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine?
2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine has a molecular weight of 211.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 131420449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).