2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

C7H5F6NO2 — CID 134463201

IUPAC2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C(=O)NC(=O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6NO2/c1-3(7(11,12)13)5(16)14-4(15)2-6(8,9)10/h1-2H2,(H,14,15,16)
InChIKeyLZRLNTYRZLFXDK-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.70
Rot. Bonds2

About 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (PubChem CID 134463201) has the molecular formula C7H5F6NO2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
PubChem CID134463201
Molecular FormulaC7H5F6NO2
Molecular Weight249.11 g/mol
Exact Mass249.02
IUPAC Name2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C(=O)NC(=O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6NO2/c1-3(7(11,12)13)5(16)14-4(15)2-6(8,9)10/h1-2H2,(H,14,15,16)
InChIKeyLZRLNTYRZLFXDK-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.70
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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Related Compounds

3-(Trifluoromethyl)-1H-pyrrole-2,5-dione
CID 21399352
N-(2-fluoroacetyl)-2-methylprop-2-enamide
CID 22568327
N-(1,1,2,2,3,3-hexafluoropropyl)-2-methylprop-2-enamide
CID 87441605
N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide
CID 87441607
2-methyl-N-(1,1,2,2-tetrafluoropropyl)prop-2-enamide
CID 87441712
N-(2,2,2-trifluoroacetyl)methacrylamide
CID 119098435
2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463178
2,2-dimethyl-N-[2-(trifluoromethyl)prop-2-enoyl]propanamide
CID 134463180
N-(2,2,2-trifluoroacetyl)-2-(trifluoromethyl)prop-2-enamide
CID 134463270
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide
CID 154256648
N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylprop-2-enamide
CID 172839538
(E)-N-acetyl-2-(trifluoromethyl)but-2-enamide
CID 149348503

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The IUPAC name of 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (CID 134463201) is 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The canonical SMILES for 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is C=C(C(=O)NC(=O)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The InChIKey is LZRLNTYRZLFXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6NO2/c1-3(7(11,12)13)5(16)14-4(15)2-6(8,9)10/h1-2H2,(H,14,15,16).
What are the key properties of 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide has a molecular weight of 249.11 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is sourced from PubChem (CID 134463201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).