1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine

C16H28FNO — CID 143437398

IUPAC1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine
SMILESCC/C=C(OCCCN1CCCC1)\C(F)=C/CCC
InChIInChI=1S/C16H28FNO/c1-3-5-10-15(17)16(9-4-2)19-14-8-13-18-11-6-7-12-18/h9-10H,3-8,11-14H2,1-2H3/b15-10+,16-9+
InChIKeyDFHOBVBMLVBLLG-BXIATTARSA-N
MW269.40 g/mol
LogP4.44
Rot. Bonds9

About 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine

1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine (PubChem CID 143437398) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine
PubChem CID143437398
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Name1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine
SMILESCC/C=C(OCCCN1CCCC1)\C(F)=C/CCC
InChIInChI=1S/C16H28FNO/c1-3-5-10-15(17)16(9-4-2)19-14-8-13-18-11-6-7-12-18/h9-10H,3-8,11-14H2,1-2H3/b15-10+,16-9+
InChIKeyDFHOBVBMLVBLLG-BXIATTARSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine?
The IUPAC name of 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine (CID 143437398) is 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine.
What is the SMILES notation for 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine?
The canonical SMILES for 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine is CC/C=C(OCCCN1CCCC1)\C(F)=C/CCC.
What is the InChIKey of 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine?
The InChIKey is DFHOBVBMLVBLLG-BXIATTARSA-N. The full InChI is InChI=1S/C16H28FNO/c1-3-5-10-15(17)16(9-4-2)19-14-8-13-18-11-6-7-12-18/h9-10H,3-8,11-14H2,1-2H3/b15-10+,16-9+.
What are the key properties of 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine?
1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine has a molecular weight of 269.40 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine is sourced from PubChem (CID 143437398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).