(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide

C8H15FN2O — CID 170066910

IUPAC(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide
SMILESCCN(F)C(=O)/C=C/CN(C)C
InChIInChI=1S/C8H15FN2O/c1-4-11(9)8(12)6-5-7-10(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyMLOFLTIUIXDIMJ-AATRIKPKSA-N
MW174.22 g/mol
LogP0.84
Rot. Bonds4

About (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide

(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide (PubChem CID 170066910) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide
PubChem CID170066910
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide
SMILESCCN(F)C(=O)/C=C/CN(C)C
InChIInChI=1S/C8H15FN2O/c1-4-11(9)8(12)6-5-7-10(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyMLOFLTIUIXDIMJ-AATRIKPKSA-N
XLogP0.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide (CID 170066910) is (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide is CCN(F)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide?
The InChIKey is MLOFLTIUIXDIMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-4-11(9)8(12)6-5-7-10(2)3/h5-6H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide?
(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide has a molecular weight of 174.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide is sourced from PubChem (CID 170066910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).