ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene

C14H27FO2 — CID 169134591

IUPACethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
SMILESC=C/C=C(/C=C(\C)F)OCCOC.CC.CC
InChIInChI=1S/C10H15FO2.2C2H6/c1-4-5-10(8-9(2)11)13-7-6-12-3;2*1-2/h4-5,8H,1,6-7H2,2-3H3;2*1-2H3/b9-8+,10-5-;;
InChIKeyOUXVWUDLQSFEAR-CSWLRVBZSA-N
MW246.37 g/mol
LogP4.64
Rot. Bonds6

About ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene

ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene (PubChem CID 169134591) has the molecular formula C14H27FO2 and a molecular weight of 246.37 g/mol. Its IUPAC name is ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
PubChem CID169134591
Molecular FormulaC14H27FO2
Molecular Weight246.37 g/mol
Exact Mass246.20
IUPAC Nameethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
SMILESC=C/C=C(/C=C(\C)F)OCCOC.CC.CC
InChIInChI=1S/C10H15FO2.2C2H6/c1-4-5-10(8-9(2)11)13-7-6-12-3;2*1-2/h4-5,8H,1,6-7H2,2-3H3;2*1-2H3/b9-8+,10-5-;;
InChIKeyOUXVWUDLQSFEAR-CSWLRVBZSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 54.64
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 ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene (CID 169134591) is ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene is C=C/C=C(/C=C(\C)F)OCCOC.CC.CC.
What is the InChIKey of ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The InChIKey is OUXVWUDLQSFEAR-CSWLRVBZSA-N. The full InChI is InChI=1S/C10H15FO2.2C2H6/c1-4-5-10(8-9(2)11)13-7-6-12-3;2*1-2/h4-5,8H,1,6-7H2,2-3H3;2*1-2H3/b9-8+,10-5-;;.
What are the key properties of ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene has a molecular weight of 246.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 169134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).