(Z)-4-amino-1-fluorobut-3-en-2-one

C4H6FNO — CID 89164942

IUPAC(Z)-4-amino-1-fluorobut-3-en-2-one
SMILESN/C=C\C(=O)CF
InChIInChI=1S/C4H6FNO/c5-3-4(7)1-2-6/h1-2H,3,6H2/b2-1-
InChIKeyHZCKNTWIQOWSBG-UPHRSURJSA-N
MW103.10 g/mol
LogP-0.00
Rot. Bonds2

About (Z)-4-amino-1-fluorobut-3-en-2-one

(Z)-4-amino-1-fluorobut-3-en-2-one (PubChem CID 89164942) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is (Z)-4-amino-1-fluorobut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-1-fluorobut-3-en-2-one
PubChem CID89164942
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name(Z)-4-amino-1-fluorobut-3-en-2-one
SMILESN/C=C\C(=O)CF
InChIInChI=1S/C4H6FNO/c5-3-4(7)1-2-6/h1-2H,3,6H2/b2-1-
InChIKeyHZCKNTWIQOWSBG-UPHRSURJSA-N
XLogP-0.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.00
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 (Z)-4-amino-1-fluorobut-3-en-2-one?
The IUPAC name of (Z)-4-amino-1-fluorobut-3-en-2-one (CID 89164942) is (Z)-4-amino-1-fluorobut-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-1-fluorobut-3-en-2-one?
The canonical SMILES for (Z)-4-amino-1-fluorobut-3-en-2-one is N/C=C\C(=O)CF.
What is the InChIKey of (Z)-4-amino-1-fluorobut-3-en-2-one?
The InChIKey is HZCKNTWIQOWSBG-UPHRSURJSA-N. The full InChI is InChI=1S/C4H6FNO/c5-3-4(7)1-2-6/h1-2H,3,6H2/b2-1-.
What are the key properties of (Z)-4-amino-1-fluorobut-3-en-2-one?
(Z)-4-amino-1-fluorobut-3-en-2-one has a molecular weight of 103.10 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-fluorobut-3-en-2-one is sourced from PubChem (CID 89164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).