(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one

C8H10F4O2 — CID 162442526

IUPAC(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one
SMILESCO/C(=C\C(C)=O)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H10F4O2/c1-5(13)4-6(14-3)8(11,12)7(2,9)10/h4H,1-3H3/b6-4-
InChIKeyMILXIYRIKROGDP-XQRVVYSFSA-N
MW214.16 g/mol
LogP2.40
Rot. Bonds4

About (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one

(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one (PubChem CID 162442526) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one
PubChem CID162442526
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Name(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one
SMILESCO/C(=C\C(C)=O)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H10F4O2/c1-5(13)4-6(14-3)8(11,12)7(2,9)10/h4H,1-3H3/b6-4-
InChIKeyMILXIYRIKROGDP-XQRVVYSFSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.40
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one?
The IUPAC name of (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one (CID 162442526) is (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one.
What is the SMILES notation for (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one?
The canonical SMILES for (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one is CO/C(=C\C(C)=O)C(F)(F)C(C)(F)F.
What is the InChIKey of (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one?
The InChIKey is MILXIYRIKROGDP-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H10F4O2/c1-5(13)4-6(14-3)8(11,12)7(2,9)10/h4H,1-3H3/b6-4-.
What are the key properties of (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one?
(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one has a molecular weight of 214.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one is sourced from PubChem (CID 162442526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).