(E)-4,4-difluorobut-2-enamide

C4H5F2NO — CID 155620840

IUPAC(E)-4,4-difluorobut-2-enamide
SMILESNC(=O)/C=C/C(F)F
InChIInChI=1S/C4H5F2NO/c5-3(6)1-2-4(7)8/h1-3H,(H2,7,8)/b2-1+
InChIKeyOBUMROKBNQHUBJ-OWOJBTEDSA-N
MW121.09 g/mol
LogP0.29
Rot. Bonds2

About (E)-4,4-difluorobut-2-enamide

(E)-4,4-difluorobut-2-enamide (PubChem CID 155620840) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is (E)-4,4-difluorobut-2-enamide.

Molecular Properties

Compound Name(E)-4,4-difluorobut-2-enamide
PubChem CID155620840
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name(E)-4,4-difluorobut-2-enamide
SMILESNC(=O)/C=C/C(F)F
InChIInChI=1S/C4H5F2NO/c5-3(6)1-2-4(7)8/h1-3H,(H2,7,8)/b2-1+
InChIKeyOBUMROKBNQHUBJ-OWOJBTEDSA-N
XLogP0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-4,4-difluorobut-2-enamide?
The IUPAC name of (E)-4,4-difluorobut-2-enamide (CID 155620840) is (E)-4,4-difluorobut-2-enamide.
What is the SMILES notation for (E)-4,4-difluorobut-2-enamide?
The canonical SMILES for (E)-4,4-difluorobut-2-enamide is NC(=O)/C=C/C(F)F.
What is the InChIKey of (E)-4,4-difluorobut-2-enamide?
The InChIKey is OBUMROKBNQHUBJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-3(6)1-2-4(7)8/h1-3H,(H2,7,8)/b2-1+.
What are the key properties of (E)-4,4-difluorobut-2-enamide?
(E)-4,4-difluorobut-2-enamide has a molecular weight of 121.09 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluorobut-2-enamide is sourced from PubChem (CID 155620840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).