2-methyl-N-(trifluoromethyl)prop-2-enamide

C5H6F3NO — CID 87441559

IUPAC2-methyl-N-(trifluoromethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3(2)4(10)9-5(6,7)8/h1H2,2H3,(H,9,10)
InChIKeyCOCMQKVTKKRAQG-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.20
Rot. Bonds1

About 2-methyl-N-(trifluoromethyl)prop-2-enamide

2-methyl-N-(trifluoromethyl)prop-2-enamide (PubChem CID 87441559) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 2-methyl-N-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(trifluoromethyl)prop-2-enamide
PubChem CID87441559
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name2-methyl-N-(trifluoromethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3(2)4(10)9-5(6,7)8/h1H2,2H3,(H,9,10)
InChIKeyCOCMQKVTKKRAQG-UHFFFAOYSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-N-(trifluoromethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(trifluoromethyl)prop-2-enamide (CID 87441559) is 2-methyl-N-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(trifluoromethyl)prop-2-enamide is C=C(C)C(=O)NC(F)(F)F.
What is the InChIKey of 2-methyl-N-(trifluoromethyl)prop-2-enamide?
The InChIKey is COCMQKVTKKRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3(2)4(10)9-5(6,7)8/h1H2,2H3,(H,9,10).
What are the key properties of 2-methyl-N-(trifluoromethyl)prop-2-enamide?
2-methyl-N-(trifluoromethyl)prop-2-enamide has a molecular weight of 153.10 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 87441559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).