(E)-1-amino-1-fluoropent-3-en-2-one

C5H8FNO — CID 140601782

IUPAC(E)-1-amino-1-fluoropent-3-en-2-one
SMILESC/C=C/C(=O)C(N)F
InChIInChI=1S/C5H8FNO/c1-2-3-4(8)5(6)7/h2-3,5H,7H2,1H3/b3-2+
InChIKeyJBRPJIZPMBOACM-NSCUHMNNSA-N
MW117.12 g/mol
LogP0.39
Rot. Bonds2

About (E)-1-amino-1-fluoropent-3-en-2-one

(E)-1-amino-1-fluoropent-3-en-2-one (PubChem CID 140601782) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (E)-1-amino-1-fluoropent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-amino-1-fluoropent-3-en-2-one
PubChem CID140601782
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(E)-1-amino-1-fluoropent-3-en-2-one
SMILESC/C=C/C(=O)C(N)F
InChIInChI=1S/C5H8FNO/c1-2-3-4(8)5(6)7/h2-3,5H,7H2,1H3/b3-2+
InChIKeyJBRPJIZPMBOACM-NSCUHMNNSA-N
XLogP0.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-1-fluoropent-3-en-2-one?
The IUPAC name of (E)-1-amino-1-fluoropent-3-en-2-one (CID 140601782) is (E)-1-amino-1-fluoropent-3-en-2-one.
What is the SMILES notation for (E)-1-amino-1-fluoropent-3-en-2-one?
The canonical SMILES for (E)-1-amino-1-fluoropent-3-en-2-one is C/C=C/C(=O)C(N)F.
What is the InChIKey of (E)-1-amino-1-fluoropent-3-en-2-one?
The InChIKey is JBRPJIZPMBOACM-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-3-4(8)5(6)7/h2-3,5H,7H2,1H3/b3-2+.
What are the key properties of (E)-1-amino-1-fluoropent-3-en-2-one?
(E)-1-amino-1-fluoropent-3-en-2-one has a molecular weight of 117.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-1-fluoropent-3-en-2-one is sourced from PubChem (CID 140601782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).