(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene

C11H13F3O — CID 162551506

IUPAC(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene
SMILESC/C=C\CC/C=C\C=C\OC(F)=C(F)F
InChIInChI=1S/C11H13F3O/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h2-3,6-9H,4-5H2,1H3/b3-2-,7-6-,9-8+
InChIKeyAOADGJYIUXLRNP-PBVXPDETSA-N
MW218.22 g/mol
LogP4.46
Rot. Bonds6

About (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene

(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene (PubChem CID 162551506) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene.

Molecular Properties

Compound Name(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene
PubChem CID162551506
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene
SMILESC/C=C\CC/C=C\C=C\OC(F)=C(F)F
InChIInChI=1S/C11H13F3O/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h2-3,6-9H,4-5H2,1H3/b3-2-,7-6-,9-8+
InChIKeyAOADGJYIUXLRNP-PBVXPDETSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene?
The IUPAC name of (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene (CID 162551506) is (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene.
What is the SMILES notation for (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene?
The canonical SMILES for (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene is C/C=C\CC/C=C\C=C\OC(F)=C(F)F.
What is the InChIKey of (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene?
The InChIKey is AOADGJYIUXLRNP-PBVXPDETSA-N. The full InChI is InChI=1S/C11H13F3O/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h2-3,6-9H,4-5H2,1H3/b3-2-,7-6-,9-8+.
What are the key properties of (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene?
(1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene has a molecular weight of 218.22 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,7Z)-1-(1,2,2-trifluoroethenoxy)nona-1,3,7-triene is sourced from PubChem (CID 162551506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).