(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one

C8H5F5O2 — CID 11458817

IUPAC(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one
SMILESCO/C=C\C#CC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F5O2/c1-15-5-3-2-4-6(14)7(9,10)8(11,12)13/h3,5H,1H3/b5-3-
InChIKeyUVNMDNRHMUQQEB-HYXAFXHYSA-N
MW228.12 g/mol
LogP1.92
Rot. Bonds2

About (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one

(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one (PubChem CID 11458817) has the molecular formula C8H5F5O2 and a molecular weight of 228.12 g/mol. Its IUPAC name is (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one.

Molecular Properties

Compound Name(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one
PubChem CID11458817
Molecular FormulaC8H5F5O2
Molecular Weight228.12 g/mol
Exact Mass228.02
IUPAC Name(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one
SMILESCO/C=C\C#CC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F5O2/c1-15-5-3-2-4-6(14)7(9,10)8(11,12)13/h3,5H,1H3/b5-3-
InChIKeyUVNMDNRHMUQQEB-HYXAFXHYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one 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 (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one?
The IUPAC name of (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one (CID 11458817) is (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one.
What is the SMILES notation for (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one?
The canonical SMILES for (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one is CO/C=C\C#CC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one?
The InChIKey is UVNMDNRHMUQQEB-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H5F5O2/c1-15-5-3-2-4-6(14)7(9,10)8(11,12)13/h3,5H,1H3/b5-3-.
What are the key properties of (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one?
(Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one has a molecular weight of 228.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2-pentafluoro-7-methoxyhept-6-en-4-yn-3-one is sourced from PubChem (CID 11458817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).