(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one

C7H7F5O2 — CID 91701140

IUPAC(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one
SMILESCO/C(C)=C\C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5O2/c1-4(14-2)3-5(13)6(8,9)7(10,11)12/h3H,1-2H3/b4-3-
InChIKeyCHWNAEPLFPHADE-ARJAWSKDSA-N
MW218.12 g/mol
LogP2.30
Rot. Bonds3

About (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one

(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one (PubChem CID 91701140) has the molecular formula C7H7F5O2 and a molecular weight of 218.12 g/mol. Its IUPAC name is (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one
PubChem CID91701140
Molecular FormulaC7H7F5O2
Molecular Weight218.12 g/mol
Exact Mass218.04
IUPAC Name(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one
SMILESCO/C(C)=C\C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5O2/c1-4(14-2)3-5(13)6(8,9)7(10,11)12/h3H,1-2H3/b4-3-
InChIKeyCHWNAEPLFPHADE-ARJAWSKDSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.30
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)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one?
The IUPAC name of (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one (CID 91701140) is (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one.
What is the SMILES notation for (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one?
The canonical SMILES for (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one is CO/C(C)=C\C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one?
The InChIKey is CHWNAEPLFPHADE-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H7F5O2/c1-4(14-2)3-5(13)6(8,9)7(10,11)12/h3H,1-2H3/b4-3-.
What are the key properties of (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one?
(Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one has a molecular weight of 218.12 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2-pentafluoro-5-methoxyhex-4-en-3-one is sourced from PubChem (CID 91701140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).