2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide

C10H14F3NO2 — CID 134463228

IUPAC2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide
SMILESC=C(C)C(=O)N(C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-6(2)7(15)14(10(11,12)13)8(16)9(3,4)5/h1H2,2-5H3
InChIKeyGBEFQOYHPAFXRB-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.48
Rot. Bonds1

About 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide

2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide (PubChem CID 134463228) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide
PubChem CID134463228
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide
SMILESC=C(C)C(=O)N(C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-6(2)7(15)14(10(11,12)13)8(16)9(3,4)5/h1H2,2-5H3
InChIKeyGBEFQOYHPAFXRB-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide (CID 134463228) is 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide is C=C(C)C(=O)N(C(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide?
The InChIKey is GBEFQOYHPAFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-6(2)7(15)14(10(11,12)13)8(16)9(3,4)5/h1H2,2-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide?
2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide has a molecular weight of 237.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide is sourced from PubChem (CID 134463228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).