3-ethoxy-6,6,6-trifluorohex-2-ene

C8H13F3O — CID 91542609

IUPAC3-ethoxy-6,6,6-trifluorohex-2-ene
SMILESCC=C(CCC(F)(F)F)OCC
InChIInChI=1S/C8H13F3O/c1-3-7(12-4-2)5-6-8(9,10)11/h3H,4-6H2,1-2H3
InChIKeyIVAWYXHLVYKGHA-UHFFFAOYSA-N
MW182.18 g/mol
LogP3.27
Rot. Bonds4

About 3-ethoxy-6,6,6-trifluorohex-2-ene

3-ethoxy-6,6,6-trifluorohex-2-ene (PubChem CID 91542609) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-ethoxy-6,6,6-trifluorohex-2-ene.

Molecular Properties

Compound Name3-ethoxy-6,6,6-trifluorohex-2-ene
PubChem CID91542609
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name3-ethoxy-6,6,6-trifluorohex-2-ene
SMILESCC=C(CCC(F)(F)F)OCC
InChIInChI=1S/C8H13F3O/c1-3-7(12-4-2)5-6-8(9,10)11/h3H,4-6H2,1-2H3
InChIKeyIVAWYXHLVYKGHA-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethoxy-6,6,6-trifluorohex-2-ene?
The IUPAC name of 3-ethoxy-6,6,6-trifluorohex-2-ene (CID 91542609) is 3-ethoxy-6,6,6-trifluorohex-2-ene.
What is the SMILES notation for 3-ethoxy-6,6,6-trifluorohex-2-ene?
The canonical SMILES for 3-ethoxy-6,6,6-trifluorohex-2-ene is CC=C(CCC(F)(F)F)OCC.
What is the InChIKey of 3-ethoxy-6,6,6-trifluorohex-2-ene?
The InChIKey is IVAWYXHLVYKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-3-7(12-4-2)5-6-8(9,10)11/h3H,4-6H2,1-2H3.
What are the key properties of 3-ethoxy-6,6,6-trifluorohex-2-ene?
3-ethoxy-6,6,6-trifluorohex-2-ene has a molecular weight of 182.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6,6,6-trifluorohex-2-ene is sourced from PubChem (CID 91542609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).