4-(dimethylamino)-2-fluorobut-2-enamide

C6H11FN2O — CID 141312196

IUPAC4-(dimethylamino)-2-fluorobut-2-enamide
SMILESCN(C)CC=C(F)C(N)=O
InChIInChI=1S/C6H11FN2O/c1-9(2)4-3-5(7)6(8)10/h3H,4H2,1-2H3,(H2,8,10)
InChIKeyFXYJRWSBJVFKSO-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.11
Rot. Bonds3

About 4-(dimethylamino)-2-fluorobut-2-enamide

4-(dimethylamino)-2-fluorobut-2-enamide (PubChem CID 141312196) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluorobut-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluorobut-2-enamide
PubChem CID141312196
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name4-(dimethylamino)-2-fluorobut-2-enamide
SMILESCN(C)CC=C(F)C(N)=O
InChIInChI=1S/C6H11FN2O/c1-9(2)4-3-5(7)6(8)10/h3H,4H2,1-2H3,(H2,8,10)
InChIKeyFXYJRWSBJVFKSO-UHFFFAOYSA-N
XLogP-0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.11
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 4-(dimethylamino)-2-fluorobut-2-enamide?
The IUPAC name of 4-(dimethylamino)-2-fluorobut-2-enamide (CID 141312196) is 4-(dimethylamino)-2-fluorobut-2-enamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluorobut-2-enamide?
The canonical SMILES for 4-(dimethylamino)-2-fluorobut-2-enamide is CN(C)CC=C(F)C(N)=O.
What is the InChIKey of 4-(dimethylamino)-2-fluorobut-2-enamide?
The InChIKey is FXYJRWSBJVFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-9(2)4-3-5(7)6(8)10/h3H,4H2,1-2H3,(H2,8,10).
What are the key properties of 4-(dimethylamino)-2-fluorobut-2-enamide?
4-(dimethylamino)-2-fluorobut-2-enamide has a molecular weight of 146.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluorobut-2-enamide is sourced from PubChem (CID 141312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).