N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide

C8H12F2N2O2 — CID 87244628

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(C(=O)C(F)F)/C(=C\N)C(C)=O
InChIInChI=1S/C8H12F2N2O2/c1-3-12(8(14)7(9)10)6(4-11)5(2)13/h4,7H,3,11H2,1-2H3/b6-4-
InChIKeyNRJLXFBDOVROBX-XQRVVYSFSA-N
MW206.19 g/mol
LogP0.49
Rot. Bonds4

About N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide (PubChem CID 87244628) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide
PubChem CID87244628
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(C(=O)C(F)F)/C(=C\N)C(C)=O
InChIInChI=1S/C8H12F2N2O2/c1-3-12(8(14)7(9)10)6(4-11)5(2)13/h4,7H,3,11H2,1-2H3/b6-4-
InChIKeyNRJLXFBDOVROBX-XQRVVYSFSA-N
XLogP0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide (CID 87244628) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide is CCN(C(=O)C(F)F)/C(=C\N)C(C)=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide?
The InChIKey is NRJLXFBDOVROBX-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-3-12(8(14)7(9)10)6(4-11)5(2)13/h4,7H,3,11H2,1-2H3/b6-4-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide has a molecular weight of 206.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-ethyl-2,2-difluoroacetamide is sourced from PubChem (CID 87244628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).