4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine

C15H23F2NO2 — CID 166907360

IUPAC4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine
SMILESC/C(=C/C=C/OCCN1CCOCC1)C(F)=CC(C)F
InChIInChI=1S/C15H23F2NO2/c1-13(15(17)12-14(2)16)4-3-8-19-9-5-18-6-10-20-11-7-18/h3-4,8,12,14H,5-7,9-11H2,1-2H3/b8-3+,13-4-,15-12?
InChIKeyPKJIPSAQDNKBDI-FWEOUULRSA-N
MW287.35 g/mol
LogP3.01
Rot. Bonds7

About 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine

4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine (PubChem CID 166907360) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine
PubChem CID166907360
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine
SMILESC/C(=C/C=C/OCCN1CCOCC1)C(F)=CC(C)F
InChIInChI=1S/C15H23F2NO2/c1-13(15(17)12-14(2)16)4-3-8-19-9-5-18-6-10-20-11-7-18/h3-4,8,12,14H,5-7,9-11H2,1-2H3/b8-3+,13-4-,15-12?
InChIKeyPKJIPSAQDNKBDI-FWEOUULRSA-N
XLogP3.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine (CID 166907360) is 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine is C/C(=C/C=C/OCCN1CCOCC1)C(F)=CC(C)F.
What is the InChIKey of 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine?
The InChIKey is PKJIPSAQDNKBDI-FWEOUULRSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-13(15(17)12-14(2)16)4-3-8-19-9-5-18-6-10-20-11-7-18/h3-4,8,12,14H,5-7,9-11H2,1-2H3/b8-3+,13-4-,15-12?.
What are the key properties of 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine?
4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine has a molecular weight of 287.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1E,3Z)-5,7-difluoro-4-methylocta-1,3,5-trienoxy]ethyl]morpholine is sourced from PubChem (CID 166907360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).