(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione

C12H15F3O2 — CID 143087164

IUPAC(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione
SMILESC/C=C(\C=C/C(C)C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-4-9(6-5-8(2)3)10(16)7-11(17)12(13,14)15/h4-6,8H,7H2,1-3H3/b6-5-,9-4+
InChIKeyKHWZWBCMOAWKRI-CXBDEZGUSA-N
MW248.24 g/mol
LogP3.24
Rot. Bonds5

About (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione

(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione (PubChem CID 143087164) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione
PubChem CID143087164
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione
SMILESC/C=C(\C=C/C(C)C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-4-9(6-5-8(2)3)10(16)7-11(17)12(13,14)15/h4-6,8H,7H2,1-3H3/b6-5-,9-4+
InChIKeyKHWZWBCMOAWKRI-CXBDEZGUSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione with MolForge

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Related Compounds

(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one
CID 143381633
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
(E)-1-fluoro-5-methylhex-3-en-2-one
CID 12954299
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
methane;1,1,1-trifluoropentane-2,4-dione
CID 160600044
CID 158271114
CID 158271114
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
(Z)-1,1,1-trifluorohept-5-en-2-one
CID 145337030
7,7,7-trifluoro-2-methyl-4,6-dioxoheptanoic acid
CID 19789961

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione?
The IUPAC name of (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione (CID 143087164) is (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione.
What is the SMILES notation for (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione?
The canonical SMILES for (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione is C/C=C(\C=C/C(C)C)C(=O)CC(=O)C(F)(F)F.
What is the InChIKey of (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione?
The InChIKey is KHWZWBCMOAWKRI-CXBDEZGUSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-4-9(6-5-8(2)3)10(16)7-11(17)12(13,14)15/h4-6,8H,7H2,1-3H3/b6-5-,9-4+.
What are the key properties of (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione?
(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione is sourced from PubChem (CID 143087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).