(E)-N,4,4,4-tetrafluorobut-2-enamide

C4H3F4NO — CID 162526665

IUPAC(E)-N,4,4,4-tetrafluorobut-2-enamide
SMILESO=C(/C=C/C(F)(F)F)NF
InChIInChI=1S/C4H3F4NO/c5-4(6,7)2-1-3(10)9-8/h1-2H,(H,9,10)/b2-1+
InChIKeyAYTLTMRFMDYNJA-OWOJBTEDSA-N
MW157.07 g/mol
LogP1.11
Rot. Bonds1

About (E)-N,4,4,4-tetrafluorobut-2-enamide

(E)-N,4,4,4-tetrafluorobut-2-enamide (PubChem CID 162526665) has the molecular formula C4H3F4NO and a molecular weight of 157.07 g/mol. Its IUPAC name is (E)-N,4,4,4-tetrafluorobut-2-enamide.

Molecular Properties

Compound Name(E)-N,4,4,4-tetrafluorobut-2-enamide
PubChem CID162526665
Molecular FormulaC4H3F4NO
Molecular Weight157.07 g/mol
Exact Mass157.02
IUPAC Name(E)-N,4,4,4-tetrafluorobut-2-enamide
SMILESO=C(/C=C/C(F)(F)F)NF
InChIInChI=1S/C4H3F4NO/c5-4(6,7)2-1-3(10)9-8/h1-2H,(H,9,10)/b2-1+
InChIKeyAYTLTMRFMDYNJA-OWOJBTEDSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.07
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N,4,4,4-tetrafluorobut-2-enamide?
The IUPAC name of (E)-N,4,4,4-tetrafluorobut-2-enamide (CID 162526665) is (E)-N,4,4,4-tetrafluorobut-2-enamide.
What is the SMILES notation for (E)-N,4,4,4-tetrafluorobut-2-enamide?
The canonical SMILES for (E)-N,4,4,4-tetrafluorobut-2-enamide is O=C(/C=C/C(F)(F)F)NF.
What is the InChIKey of (E)-N,4,4,4-tetrafluorobut-2-enamide?
The InChIKey is AYTLTMRFMDYNJA-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H3F4NO/c5-4(6,7)2-1-3(10)9-8/h1-2H,(H,9,10)/b2-1+.
What are the key properties of (E)-N,4,4,4-tetrafluorobut-2-enamide?
(E)-N,4,4,4-tetrafluorobut-2-enamide has a molecular weight of 157.07 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4,4,4-tetrafluorobut-2-enamide is sourced from PubChem (CID 162526665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).