(E)-4-amino-5,5-difluoropent-3-en-2-one

C5H7F2NO — CID 45085463

IUPAC(E)-4-amino-5,5-difluoropent-3-en-2-one
SMILESCC(=O)/C=C(/N)C(F)F
InChIInChI=1S/C5H7F2NO/c1-3(9)2-4(8)5(6)7/h2,5H,8H2,1H3/b4-2+
InChIKeyLGFLGVBTZVHCGV-DUXPYHPUSA-N
MW135.11 g/mol
LogP0.68
Rot. Bonds2

About (E)-4-amino-5,5-difluoropent-3-en-2-one

(E)-4-amino-5,5-difluoropent-3-en-2-one (PubChem CID 45085463) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is (E)-4-amino-5,5-difluoropent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-amino-5,5-difluoropent-3-en-2-one
PubChem CID45085463
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name(E)-4-amino-5,5-difluoropent-3-en-2-one
SMILESCC(=O)/C=C(/N)C(F)F
InChIInChI=1S/C5H7F2NO/c1-3(9)2-4(8)5(6)7/h2,5H,8H2,1H3/b4-2+
InChIKeyLGFLGVBTZVHCGV-DUXPYHPUSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-5,5-difluoropent-3-en-2-one?
The IUPAC name of (E)-4-amino-5,5-difluoropent-3-en-2-one (CID 45085463) is (E)-4-amino-5,5-difluoropent-3-en-2-one.
What is the SMILES notation for (E)-4-amino-5,5-difluoropent-3-en-2-one?
The canonical SMILES for (E)-4-amino-5,5-difluoropent-3-en-2-one is CC(=O)/C=C(/N)C(F)F.
What is the InChIKey of (E)-4-amino-5,5-difluoropent-3-en-2-one?
The InChIKey is LGFLGVBTZVHCGV-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-3(9)2-4(8)5(6)7/h2,5H,8H2,1H3/b4-2+.
What are the key properties of (E)-4-amino-5,5-difluoropent-3-en-2-one?
(E)-4-amino-5,5-difluoropent-3-en-2-one has a molecular weight of 135.11 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-5,5-difluoropent-3-en-2-one is sourced from PubChem (CID 45085463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).