(Z)-4,4,4-trifluorobut-2-enamide

C4H4F3NO — CID 92908717

IUPAC(Z)-4,4,4-trifluorobut-2-enamide
SMILESNC(=O)/C=C\C(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1-
InChIKeyUUJWVXVMQOGZID-UPHRSURJSA-N
MW139.08 g/mol
LogP0.59
Rot. Bonds1

About (Z)-4,4,4-trifluorobut-2-enamide

(Z)-4,4,4-trifluorobut-2-enamide (PubChem CID 92908717) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is (Z)-4,4,4-trifluorobut-2-enamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluorobut-2-enamide
PubChem CID92908717
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name(Z)-4,4,4-trifluorobut-2-enamide
SMILESNC(=O)/C=C\C(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1-
InChIKeyUUJWVXVMQOGZID-UPHRSURJSA-N
XLogP0.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.59
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 (Z)-4,4,4-trifluorobut-2-enamide?
The IUPAC name of (Z)-4,4,4-trifluorobut-2-enamide (CID 92908717) is (Z)-4,4,4-trifluorobut-2-enamide.
What is the SMILES notation for (Z)-4,4,4-trifluorobut-2-enamide?
The canonical SMILES for (Z)-4,4,4-trifluorobut-2-enamide is NC(=O)/C=C\C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluorobut-2-enamide?
The InChIKey is UUJWVXVMQOGZID-UPHRSURJSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1-.
What are the key properties of (Z)-4,4,4-trifluorobut-2-enamide?
(Z)-4,4,4-trifluorobut-2-enamide has a molecular weight of 139.08 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 92908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).