1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene

C9H9F9O — CID 139974730

IUPAC1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
SMILESCCOCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-2-19-5-3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H,2,5H2,1H3
InChIKeyBTCFRLKVRRIHNG-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.05
Rot. Bonds6

About 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene

1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene (PubChem CID 139974730) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene.

Molecular Properties

Compound Name1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
PubChem CID139974730
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
SMILESCCOCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-2-19-5-3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H,2,5H2,1H3
InChIKeyBTCFRLKVRRIHNG-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.05
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-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene?
The IUPAC name of 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene (CID 139974730) is 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene.
What is the SMILES notation for 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene?
The canonical SMILES for 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene is CCOCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene?
The InChIKey is BTCFRLKVRRIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-2-19-5-3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H,2,5H2,1H3.
What are the key properties of 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene?
1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene has a molecular weight of 304.15 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene is sourced from PubChem (CID 139974730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).