(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one

C11H15F3O — CID 162510008

IUPAC(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
SMILESC=C(/C=C\CC(F)(F)F)C(=O)C(C)(C)C
InChIInChI=1S/C11H15F3O/c1-8(9(15)10(2,3)4)6-5-7-11(12,13)14/h5-6H,1,7H2,2-4H3/b6-5-
InChIKeyQQOZIBNCAMWCSI-WAYWQWQTSA-N
MW220.23 g/mol
LogP3.67
Rot. Bonds3

About (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one

(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one (PubChem CID 162510008) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one.

Molecular Properties

Compound Name(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
PubChem CID162510008
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
SMILESC=C(/C=C\CC(F)(F)F)C(=O)C(C)(C)C
InChIInChI=1S/C11H15F3O/c1-8(9(15)10(2,3)4)6-5-7-11(12,13)14/h5-6H,1,7H2,2-4H3/b6-5-
InChIKeyQQOZIBNCAMWCSI-WAYWQWQTSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one?
The IUPAC name of (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one (CID 162510008) is (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one.
What is the SMILES notation for (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one?
The canonical SMILES for (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one is C=C(/C=C\CC(F)(F)F)C(=O)C(C)(C)C.
What is the InChIKey of (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one?
The InChIKey is QQOZIBNCAMWCSI-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8(9(15)10(2,3)4)6-5-7-11(12,13)14/h5-6H,1,7H2,2-4H3/b6-5-.
What are the key properties of (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one?
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one has a molecular weight of 220.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one is sourced from PubChem (CID 162510008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).