(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide

C6H8F3NO — CID 24858005

IUPAC(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-10(2)5(11)3-4-6(7,8)9/h3-4H,1-2H3/b4-3+
InChIKeyDZRZZPQZGQVJJD-ONEGZZNKSA-N
MW167.13 g/mol
LogP1.19
Rot. Bonds1

About (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide

(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide (PubChem CID 24858005) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide
PubChem CID24858005
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-10(2)5(11)3-4-6(7,8)9/h3-4H,1-2H3/b4-3+
InChIKeyDZRZZPQZGQVJJD-ONEGZZNKSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
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)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide?
The IUPAC name of (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide (CID 24858005) is (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide is CN(C)C(=O)/C=C/C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide?
The InChIKey is DZRZZPQZGQVJJD-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-10(2)5(11)3-4-6(7,8)9/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide?
(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide has a molecular weight of 167.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 24858005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).