2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

C6H8F3NO — CID 54450429

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(2)5(11)10-3-6(7,8)9/h1,3H2,2H3,(H,10,11)
InChIKeyWUOQBSGEUPCUTR-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 54450429) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID54450429
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(2)5(11)10-3-6(7,8)9/h1,3H2,2H3,(H,10,11)
InChIKeyWUOQBSGEUPCUTR-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 54450429) is 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is C=C(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is WUOQBSGEUPCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4(2)5(11)10-3-6(7,8)9/h1,3H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 54450429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).