3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine

C15H25ClFN — CID 167200213

IUPAC3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine
SMILESCC/C=C(Cl)\C=C/C(CCCC)C1CNCC1F
InChIInChI=1S/C15H25ClFN/c1-3-5-7-12(8-9-13(16)6-4-2)14-10-18-11-15(14)17/h6,8-9,12,14-15,18H,3-5,7,10-11H2,1-2H3/b9-8-,13-6+
InChIKeyLCJKBNLJJNRXSI-GFBXJKNCSA-N
MW273.82 g/mol
LogP4.44
Rot. Bonds7

About 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine

3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine (PubChem CID 167200213) has the molecular formula C15H25ClFN and a molecular weight of 273.82 g/mol. Its IUPAC name is 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine.

Molecular Properties

Compound Name3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine
PubChem CID167200213
Molecular FormulaC15H25ClFN
Molecular Weight273.82 g/mol
Exact Mass273.17
IUPAC Name3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine
SMILESCC/C=C(Cl)\C=C/C(CCCC)C1CNCC1F
InChIInChI=1S/C15H25ClFN/c1-3-5-7-12(8-9-13(16)6-4-2)14-10-18-11-15(14)17/h6,8-9,12,14-15,18H,3-5,7,10-11H2,1-2H3/b9-8-,13-6+
InChIKeyLCJKBNLJJNRXSI-GFBXJKNCSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine?
The IUPAC name of 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine (CID 167200213) is 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine.
What is the SMILES notation for 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine?
The canonical SMILES for 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine is CC/C=C(Cl)\C=C/C(CCCC)C1CNCC1F.
What is the InChIKey of 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine?
The InChIKey is LCJKBNLJJNRXSI-GFBXJKNCSA-N. The full InChI is InChI=1S/C15H25ClFN/c1-3-5-7-12(8-9-13(16)6-4-2)14-10-18-11-15(14)17/h6,8-9,12,14-15,18H,3-5,7,10-11H2,1-2H3/b9-8-,13-6+.
What are the key properties of 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine?
3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine has a molecular weight of 273.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6Z,8E)-8-chloroundeca-6,8-dien-5-yl]-4-fluoropyrrolidine is sourced from PubChem (CID 167200213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).