2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide

C9H12F3NO2 — CID 134463180

IUPAC2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide
SMILESC=C(C(=O)NC(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(9(10,11)12)6(14)13-7(15)8(2,3)4/h1H2,2-4H3,(H,13,14,15)
InChIKeyBUTDKZHLUUKYFI-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.79
Rot. Bonds1

About 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide

2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide (PubChem CID 134463180) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide
PubChem CID134463180
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide
SMILESC=C(C(=O)NC(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(9(10,11)12)6(14)13-7(15)8(2,3)4/h1H2,2-4H3,(H,13,14,15)
InChIKeyBUTDKZHLUUKYFI-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.79
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 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide (CID 134463180) is 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide is C=C(C(=O)NC(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide?
The InChIKey is BUTDKZHLUUKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-5(9(10,11)12)6(14)13-7(15)8(2,3)4/h1H2,2-4H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide?
2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide has a molecular weight of 223.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide is sourced from PubChem (CID 134463180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).