(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one

C6F10O — CID 87773946

IUPAC(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one
SMILESO=C(/C(F)=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(2(8)5(11,12)13)3(17)4(9,10)6(14,15)16/b2-1+
InChIKeyYYYVBQKXKQWTGN-OWOJBTEDSA-N
MW278.05 g/mol
LogP3.47
Rot. Bonds2

About (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one

(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one (PubChem CID 87773946) has the molecular formula C6F10O and a molecular weight of 278.05 g/mol. Its IUPAC name is (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one.

Molecular Properties

Compound Name(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one
PubChem CID87773946
Molecular FormulaC6F10O
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one
SMILESO=C(/C(F)=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(2(8)5(11,12)13)3(17)4(9,10)6(14,15)16/b2-1+
InChIKeyYYYVBQKXKQWTGN-OWOJBTEDSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-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 (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one?
The IUPAC name of (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one (CID 87773946) is (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one.
What is the SMILES notation for (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one?
The canonical SMILES for (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one is O=C(/C(F)=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one?
The InChIKey is YYYVBQKXKQWTGN-OWOJBTEDSA-N. The full InChI is InChI=1S/C6F10O/c7-1(2(8)5(11,12)13)3(17)4(9,10)6(14,15)16/b2-1+.
What are the key properties of (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one?
(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one has a molecular weight of 278.05 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one is sourced from PubChem (CID 87773946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).