methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate

C9H11F5N2O3 — CID 145162902

IUPACmethyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate
SMILESCOC(=O)/C=C(/NN(C)C(C)=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F5N2O3/c1-5(17)16(2)15-6(4-7(18)19-3)8(10,11)9(12,13)14/h4,15H,1-3H3/b6-4+
InChIKeyLXXXZJWIUFBHBB-GQCTYLIASA-N
MW290.19 g/mol
LogP1.22
Rot. Bonds4

About methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate

methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate (PubChem CID 145162902) has the molecular formula C9H11F5N2O3 and a molecular weight of 290.19 g/mol. Its IUPAC name is methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate
PubChem CID145162902
Molecular FormulaC9H11F5N2O3
Molecular Weight290.19 g/mol
Exact Mass290.07
IUPAC Namemethyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate
SMILESCOC(=O)/C=C(/NN(C)C(C)=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F5N2O3/c1-5(17)16(2)15-6(4-7(18)19-3)8(10,11)9(12,13)14/h4,15H,1-3H3/b6-4+
InChIKeyLXXXZJWIUFBHBB-GQCTYLIASA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate?
The IUPAC name of methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate (CID 145162902) is methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate?
The canonical SMILES for methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate is COC(=O)/C=C(/NN(C)C(C)=O)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate?
The InChIKey is LXXXZJWIUFBHBB-GQCTYLIASA-N. The full InChI is InChI=1S/C9H11F5N2O3/c1-5(17)16(2)15-6(4-7(18)19-3)8(10,11)9(12,13)14/h4,15H,1-3H3/b6-4+.
What are the key properties of methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate?
methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate has a molecular weight of 290.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-acetyl-2-methylhydrazinyl)-4,4,5,5,5-pentafluoropent-2-enoate is sourced from PubChem (CID 145162902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).