(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide

C7H8F3NO2 — CID 149348503

IUPAC(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide
SMILESC/C=C(\C(=O)NC(C)=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-5(7(8,9)10)6(13)11-4(2)12/h3H,1-2H3,(H,11,12,13)/b5-3+
InChIKeyYFNROZCUPQPZRA-HWKANZROSA-N
MW195.14 g/mol
LogP1.16
Rot. Bonds1

About (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide

(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide (PubChem CID 149348503) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide
PubChem CID149348503
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide
SMILESC/C=C(\C(=O)NC(C)=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-3-5(7(8,9)10)6(13)11-4(2)12/h3H,1-2H3,(H,11,12,13)/b5-3+
InChIKeyYFNROZCUPQPZRA-HWKANZROSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citraconimide
CID 95941
3-(Trifluoromethyl)-1H-pyrrole-2,5-dione
CID 21399352
N-(2-fluoroacetyl)-2-methylprop-2-enamide
CID 22568327
(E)-N-acetyl-2-fluorobut-2-enamide
CID 89609534
N-(2,2,2-trifluoroacetyl)methacrylamide
CID 119098435
2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463178
2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide
CID 134463180
2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463201
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)but-2-enamide
CID 154246864
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide
CID 154322706
(Z)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-methylbut-2-enamide
CID 133679284
N-(2-methylprop-2-enoyl)but-2-enamide
CID 57040946

Frequently Asked Questions

What is the IUPAC name of (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide?
The IUPAC name of (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide (CID 149348503) is (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide.
What is the SMILES notation for (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide?
The canonical SMILES for (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide is C/C=C(\C(=O)NC(C)=O)C(F)(F)F.
What is the InChIKey of (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide?
The InChIKey is YFNROZCUPQPZRA-HWKANZROSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-5(7(8,9)10)6(13)11-4(2)12/h3H,1-2H3,(H,11,12,13)/b5-3+.
What are the key properties of (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide?
(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide has a molecular weight of 195.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-acetyl-2-(trifluoromethyl)but-2-enamide is sourced from PubChem (CID 149348503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).