2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H13F3N2O2 — CID 102248465

IUPAC2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-4-6(15)14-8(2,3)7(16)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyFAXFEBPPDJPTAJ-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 102248465) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID102248465
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-4-6(15)14-8(2,3)7(16)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyFAXFEBPPDJPTAJ-UHFFFAOYSA-N
XLogP0.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 102248465) is 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide is C=CC(=O)NC(C)(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FAXFEBPPDJPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-4-6(15)14-8(2,3)7(16)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 238.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 102248465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).