(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one

C9H13F4NO — CID 12505908

IUPAC(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one
SMILESCCCC/C(N)=C/C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO/c1-2-3-4-6(14)5-7(15)9(12,13)8(10)11/h5,8H,2-4,14H2,1H3/b6-5-
InChIKeyGJYODMAPDAYDFO-WAYWQWQTSA-N
MW227.20 g/mol
LogP2.49
Rot. Bonds6

About (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one

(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one (PubChem CID 12505908) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one
PubChem CID12505908
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one
SMILESCCCC/C(N)=C/C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO/c1-2-3-4-6(14)5-7(15)9(12,13)8(10)11/h5,8H,2-4,14H2,1H3/b6-5-
InChIKeyGJYODMAPDAYDFO-WAYWQWQTSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-amino-1,1,2,2-tetrafluoronon-4-en-3-one?
The IUPAC name of (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one (CID 12505908) is (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one.
What is the SMILES notation for (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one?
The canonical SMILES for (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one is CCCC/C(N)=C/C(=O)C(F)(F)C(F)F.
What is the InChIKey of (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one?
The InChIKey is GJYODMAPDAYDFO-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-2-3-4-6(14)5-7(15)9(12,13)8(10)11/h5,8H,2-4,14H2,1H3/b6-5-.
What are the key properties of (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one?
(Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one has a molecular weight of 227.20 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-1,1,2,2-tetrafluoronon-4-en-3-one is sourced from PubChem (CID 12505908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).