2-ethoxy-3,3-difluorohex-1-ene

C8H14F2O — CID 143472823

IUPAC2-ethoxy-3,3-difluorohex-1-ene
SMILESC=C(OCC)C(F)(F)CCC
InChIInChI=1S/C8H14F2O/c1-4-6-8(9,10)7(3)11-5-2/h3-6H2,1-2H3
InChIKeyMZZIGAQTJNHOJI-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.97
Rot. Bonds5

About 2-ethoxy-3,3-difluorohex-1-ene

2-ethoxy-3,3-difluorohex-1-ene (PubChem CID 143472823) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 2-ethoxy-3,3-difluorohex-1-ene.

Molecular Properties

Compound Name2-ethoxy-3,3-difluorohex-1-ene
PubChem CID143472823
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name2-ethoxy-3,3-difluorohex-1-ene
SMILESC=C(OCC)C(F)(F)CCC
InChIInChI=1S/C8H14F2O/c1-4-6-8(9,10)7(3)11-5-2/h3-6H2,1-2H3
InChIKeyMZZIGAQTJNHOJI-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3,3-difluorohex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-difluorohex-1-ene?
The IUPAC name of 2-ethoxy-3,3-difluorohex-1-ene (CID 143472823) is 2-ethoxy-3,3-difluorohex-1-ene.
What is the SMILES notation for 2-ethoxy-3,3-difluorohex-1-ene?
The canonical SMILES for 2-ethoxy-3,3-difluorohex-1-ene is C=C(OCC)C(F)(F)CCC.
What is the InChIKey of 2-ethoxy-3,3-difluorohex-1-ene?
The InChIKey is MZZIGAQTJNHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-4-6-8(9,10)7(3)11-5-2/h3-6H2,1-2H3.
What are the key properties of 2-ethoxy-3,3-difluorohex-1-ene?
2-ethoxy-3,3-difluorohex-1-ene has a molecular weight of 164.19 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-difluorohex-1-ene is sourced from PubChem (CID 143472823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).