2-ethoxy-1,5-difluoro-4-methoxypent-2-ene

C8H14F2O2 — CID 123798607

IUPAC2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
SMILESCCOC(=CC(CF)OC)CF
InChIInChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3
InChIKeyPUAGEQSGXQOVTH-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.86
Rot. Bonds6

About 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene

2-ethoxy-1,5-difluoro-4-methoxypent-2-ene (PubChem CID 123798607) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene.

Molecular Properties

Compound Name2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
PubChem CID123798607
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-ethoxy-1,5-difluoro-4-methoxypent-2-ene
SMILESCCOC(=CC(CF)OC)CF
InChIInChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3
InChIKeyPUAGEQSGXQOVTH-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The IUPAC name of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene (CID 123798607) is 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene.
What is the SMILES notation for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The canonical SMILES for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene is CCOC(=CC(CF)OC)CF.
What is the InChIKey of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
The InChIKey is PUAGEQSGXQOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-3-12-8(6-10)4-7(5-9)11-2/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene?
2-ethoxy-1,5-difluoro-4-methoxypent-2-ene has a molecular weight of 180.19 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,5-difluoro-4-methoxypent-2-ene is sourced from PubChem (CID 123798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).