(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one

C7H9F3O2 — CID 15475218

IUPAC(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
SMILESCC/C(=C/C(=O)C(F)(F)F)OC
InChIInChI=1S/C7H9F3O2/c1-3-5(12-2)4-6(11)7(8,9)10/h4H,3H2,1-2H3/b5-4-
InChIKeyQSLQDGCDGSETSA-PLNGDYQASA-N
MW182.14 g/mol
LogP2.06
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one

(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one (PubChem CID 15475218) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
PubChem CID15475218
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
SMILESCC/C(=C/C(=O)C(F)(F)F)OC
InChIInChI=1S/C7H9F3O2/c1-3-5(12-2)4-6(11)7(8,9)10/h4H,3H2,1-2H3/b5-4-
InChIKeyQSLQDGCDGSETSA-PLNGDYQASA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.06
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_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione
CID 24786506
4-ethoxy-1,1,1-trifluoro-4-(methylamino)but-3-en-2-one
CID 72745242
methyl (Z)-3-(trifluoromethylsulfonyloxy)pent-2-enoate
CID 10801422
(E)-1,1,1-trichloro-4-methoxyhept-3-en-2-one
CID 12967854
ethyl 2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]acetate
CID 15930970
(E,2Z)-2-(1-bromopropylidene)-4-methoxyhex-3-enoic acid
CID 121242416
(Z)-4-(diethylamino)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 124647789
(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
CID 142272452
(E)-4-[[(2R)-butan-2-yl]amino]-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 96551762
methyl 2,5-dimethyl-4-(trifluoromethyl)hepta-2,4-dienoate
CID 90771749
(Z)-4-butan-2-yloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one;iron
CID 143646929
(E)-4-ethoxy-1,1,1-trifluoro-4-hydroxybut-3-en-2-one;bis(propan-2-ol);zirconium
CID 21022158

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one (CID 15475218) is (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one is CC/C(=C/C(=O)C(F)(F)F)OC.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one?
The InChIKey is QSLQDGCDGSETSA-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9F3O2/c1-3-5(12-2)4-6(11)7(8,9)10/h4H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one?
(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one has a molecular weight of 182.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one is sourced from PubChem (CID 15475218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).