(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine

C11H16F5N — CID 141306201

IUPAC(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCC/C=C\[C@@H]1CCCN1
InChIInChI=1S/C11H16F5N/c12-10(13,11(14,15)16)7-3-1-2-5-9-6-4-8-17-9/h2,5,9,17H,1,3-4,6-8H2/b5-2-/t9-/m1/s1
InChIKeyXJHZBLOKIHCFPJ-JHYPKJRRSA-N
MW257.25 g/mol
LogP3.66
Rot. Bonds5

About (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine

(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine (PubChem CID 141306201) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine
PubChem CID141306201
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCC/C=C\[C@@H]1CCCN1
InChIInChI=1S/C11H16F5N/c12-10(13,11(14,15)16)7-3-1-2-5-9-6-4-8-17-9/h2,5,9,17H,1,3-4,6-8H2/b5-2-/t9-/m1/s1
InChIKeyXJHZBLOKIHCFPJ-JHYPKJRRSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine?
The IUPAC name of (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine (CID 141306201) is (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine is FC(F)(F)C(F)(F)CCC/C=C\[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine?
The InChIKey is XJHZBLOKIHCFPJ-JHYPKJRRSA-N. The full InChI is InChI=1S/C11H16F5N/c12-10(13,11(14,15)16)7-3-1-2-5-9-6-4-8-17-9/h2,5,9,17H,1,3-4,6-8H2/b5-2-/t9-/m1/s1.
What are the key properties of (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine?
(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine has a molecular weight of 257.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine is sourced from PubChem (CID 141306201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).