(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene

C13H22F2O — CID 89247359

IUPAC(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene
SMILESCCC/C(CC)=C(OCC)/C(F)=C(/C)CF
InChIInChI=1S/C13H22F2O/c1-5-8-11(6-2)13(16-7-3)12(15)10(4)9-14/h5-9H2,1-4H3/b12-10+,13-11-
InChIKeyBLIDTZFJCDJIFG-FAEGWCMCSA-N
MW232.31 g/mol
LogP4.70
Rot. Bonds7

About (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene

(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene (PubChem CID 89247359) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene
PubChem CID89247359
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene
SMILESCCC/C(CC)=C(OCC)/C(F)=C(/C)CF
InChIInChI=1S/C13H22F2O/c1-5-8-11(6-2)13(16-7-3)12(15)10(4)9-14/h5-9H2,1-4H3/b12-10+,13-11-
InChIKeyBLIDTZFJCDJIFG-FAEGWCMCSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene?
The IUPAC name of (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene (CID 89247359) is (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene.
What is the SMILES notation for (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene?
The canonical SMILES for (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene is CCC/C(CC)=C(OCC)/C(F)=C(/C)CF.
What is the InChIKey of (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene?
The InChIKey is BLIDTZFJCDJIFG-FAEGWCMCSA-N. The full InChI is InChI=1S/C13H22F2O/c1-5-8-11(6-2)13(16-7-3)12(15)10(4)9-14/h5-9H2,1-4H3/b12-10+,13-11-.
What are the key properties of (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene?
(2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene has a molecular weight of 232.31 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethoxy-5-ethyl-1,3-difluoro-2-methylocta-2,4-diene is sourced from PubChem (CID 89247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).