N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide

C6H3F6NO2 — CID 134463270

IUPACN-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F6NO2/c1-2(5(7,8)9)3(14)13-4(15)6(10,11)12/h1H2,(H,13,14,15)
InChIKeyRZEKVJITXNBNDL-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.31
Rot. Bonds1

About N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide

N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide (PubChem CID 134463270) has the molecular formula C6H3F6NO2 and a molecular weight of 235.08 g/mol. Its IUPAC name is N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide
PubChem CID134463270
Molecular FormulaC6H3F6NO2
Molecular Weight235.08 g/mol
Exact Mass235.01
IUPAC NameN-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F6NO2/c1-2(5(7,8)9)3(14)13-4(15)6(10,11)12/h1H2,(H,13,14,15)
InChIKeyRZEKVJITXNBNDL-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.31
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 N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide (CID 134463270) is N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide is C=C(C(=O)NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is RZEKVJITXNBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NO2/c1-2(5(7,8)9)3(14)13-4(15)6(10,11)12/h1H2,(H,13,14,15).
What are the key properties of N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide?
N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 235.08 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 134463270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).