(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one

C7H9F3O2 — CID 162622966

IUPAC(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one
SMILESCO/C(C)=C\C(=O)CC(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-5(12-2)3-6(11)4-7(8,9)10/h3H,4H2,1-2H3/b5-3-
InChIKeyYINJURWPTFLOCQ-HYXAFXHYSA-N
MW182.14 g/mol
LogP2.06
Rot. Bonds3

About (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one

(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one (PubChem CID 162622966) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one
PubChem CID162622966
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one
SMILESCO/C(C)=C\C(=O)CC(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-5(12-2)3-6(11)4-7(8,9)10/h3H,4H2,1-2H3/b5-3-
InChIKeyYINJURWPTFLOCQ-HYXAFXHYSA-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

methyl (2E,4E)-5-bromo-2-methyl-4-(2,2,2-trifluoroethyl)hexa-2,4-dienoate
CID 162619384
5,5,5-trifluoropent-1-en-3-one
CID 12622108
(Z)-3-methoxybut-2-enethioic S-acid
CID 146597940
3-methoxybut-2-enoyl chloride
CID 54557484
(1E,4Z)-1-hydroxy-5-methoxyhexa-1,4-dien-3-one
CID 177152901
(E)-5,5,5-trifluoro-3-methyl-2-(methylamino)pent-2-enoic acid
CID 172855381
1,1,1,7,7,7-hexafluoroheptane-3,5-dione
CID 130398258
methyl (Z)-7,7,7-trifluoro-3-hydroxyhept-2-enoate
CID 134893910
ethyl (2Z,4E)-2-formamido-5-methoxy-3-(trifluoromethyl)hexa-2,4-dienoate
CID 71501565
methyl (E)-3-amino-5,5,5-trifluoro-2-methanimidoylpent-2-enoate
CID 169172568
(4E,6E)-2,2-difluoro-5,7-dimethoxy-3-methylideneocta-4,6-dienal
CID 142184664
methyl 2,5-dimethyl-4-(trifluoromethyl)hepta-2,4-dienoate
CID 90771749

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one?
The IUPAC name of (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one (CID 162622966) is (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one is CO/C(C)=C\C(=O)CC(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one?
The InChIKey is YINJURWPTFLOCQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-5(12-2)3-6(11)4-7(8,9)10/h3H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-one?
(Z)-1,1,1-trifluoro-5-methoxyhex-4-en-3-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-5-methoxyhex-4-en-3-one is sourced from PubChem (CID 162622966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).