2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

C7H8F3NO2 — CID 134463178

IUPAC2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-4(2)6(13)11-5(12)3-7(8,9)10/h1,3H2,2H3,(H,11,12,13)
InChIKeyAMJKHCVWGCSRRB-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.16
Rot. Bonds2

About 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (PubChem CID 134463178) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
PubChem CID134463178
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H8F3NO2/c1-4(2)6(13)11-5(12)3-7(8,9)10/h1,3H2,2H3,(H,11,12,13)
InChIKeyAMJKHCVWGCSRRB-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (CID 134463178) is 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is C=C(C)C(=O)NC(=O)CC(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The InChIKey is AMJKHCVWGCSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4(2)6(13)11-5(12)3-7(8,9)10/h1,3H2,2H3,(H,11,12,13).
What are the key properties of 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide has a molecular weight of 195.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is sourced from PubChem (CID 134463178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).