(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide

C7H10F3NO2 — CID 129050709

IUPAC(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide
SMILESCON(C)C(=O)/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h4H,1-3H3/b5-4+
InChIKeyCVEXNSNDJHHOAJ-SNAWJCMRSA-N
MW197.16 g/mol
LogP1.51
Rot. Bonds2

About (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide

(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide (PubChem CID 129050709) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide
PubChem CID129050709
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide
SMILESCON(C)C(=O)/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h4H,1-3H3/b5-4+
InChIKeyCVEXNSNDJHHOAJ-SNAWJCMRSA-N
XLogP1.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide?
The IUPAC name of (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide (CID 129050709) is (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide?
The canonical SMILES for (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide is CON(C)C(=O)/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide?
The InChIKey is CVEXNSNDJHHOAJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h4H,1-3H3/b5-4+.
What are the key properties of (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide?
(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide has a molecular weight of 197.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 129050709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).