1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene

C7H5F9O — CID 172692823

IUPAC1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
SMILESCCOC(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F
InChIInChI=1S/C7H5F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKeyBXJZEOYLNYDFII-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.50
Rot. Bonds4

About 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene

1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene (PubChem CID 172692823) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene.

Molecular Properties

Compound Name1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
PubChem CID172692823
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
SMILESCCOC(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F
InChIInChI=1S/C7H5F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKeyBXJZEOYLNYDFII-UHFFFAOYSA-N
XLogP3.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms17
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The IUPAC name of 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene (CID 172692823) is 1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene.
What is the SMILES notation for 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The canonical SMILES for 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene is CCOC(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F.
What is the InChIKey of 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
The InChIKey is BXJZEOYLNYDFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-2-17-4(9)3(8)5(10,11)6(12,13)7(14,15)16/h2H2,1H3.
What are the key properties of 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene?
1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene has a molecular weight of 276.10 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene is sourced from PubChem (CID 172692823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).