1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene

C10H13F7O — CID 91564501

IUPAC1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
SMILESCCOCC=C(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c1-3-7(5-6-18-4-2)8(11,12)9(13,14)10(15,16)17/h5H,3-4,6H2,1-2H3
InChIKeyHRGVBZKQCOKUKN-UHFFFAOYSA-N
MW282.20 g/mol
LogP4.19
Rot. Bonds6

About 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene

1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene (PubChem CID 91564501) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene.

Molecular Properties

Compound Name1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
PubChem CID91564501
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
SMILESCCOCC=C(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c1-3-7(5-6-18-4-2)8(11,12)9(13,14)10(15,16)17/h5H,3-4,6H2,1-2H3
InChIKeyHRGVBZKQCOKUKN-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene?
The IUPAC name of 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene (CID 91564501) is 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene.
What is the SMILES notation for 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene?
The canonical SMILES for 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene is CCOCC=C(CC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene?
The InChIKey is HRGVBZKQCOKUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c1-3-7(5-6-18-4-2)8(11,12)9(13,14)10(15,16)17/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene?
1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene has a molecular weight of 282.20 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene is sourced from PubChem (CID 91564501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).