(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene

C17H20F4O2 — CID 145420674

IUPAC(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC
InChIInChI=1S/C17H20F4O2/c1-7-23-13(5)17(21)16(20)12(4)11(3)15(19)14(18)10(2)8-9-22-6/h2-5,7-9H2,1,6H3/b15-14-,17-16-
InChIKeyBPHPOEYEZSNIRG-WHEHHYQMSA-N
MW332.34 g/mol
LogP5.54
Rot. Bonds10

About (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene

(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene (PubChem CID 145420674) has the molecular formula C17H20F4O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
PubChem CID145420674
Molecular FormulaC17H20F4O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC
InChIInChI=1S/C17H20F4O2/c1-7-23-13(5)17(21)16(20)12(4)11(3)15(19)14(18)10(2)8-9-22-6/h2-5,7-9H2,1,6H3/b15-14-,17-16-
InChIKeyBPHPOEYEZSNIRG-WHEHHYQMSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene (CID 145420674) is (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene is C=C(OCC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC.
What is the InChIKey of (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The InChIKey is BPHPOEYEZSNIRG-WHEHHYQMSA-N. The full InChI is InChI=1S/C17H20F4O2/c1-7-23-13(5)17(21)16(20)12(4)11(3)15(19)14(18)10(2)8-9-22-6/h2-5,7-9H2,1,6H3/b15-14-,17-16-.
What are the key properties of (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
(3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene has a molecular weight of 332.34 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-ethoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene is sourced from PubChem (CID 145420674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).