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

C8H7F6NO2 — CID 134463206

IUPAC2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO2/c1-4(2)6(17)15(8(12,13)14)5(16)3-7(9,10)11/h1,3H2,2H3
InChIKeyVQHCKHLEJFUSJZ-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.39
Rot. Bonds2

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

2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (PubChem CID 134463206) has the molecular formula C8H7F6NO2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
PubChem CID134463206
Molecular FormulaC8H7F6NO2
Molecular Weight263.14 g/mol
Exact Mass263.04
IUPAC Name2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO2/c1-4(2)6(17)15(8(12,13)14)5(16)3-7(9,10)11/h1,3H2,2H3
InChIKeyVQHCKHLEJFUSJZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

N-(2,2,2-trifluoroacetyl)methacrylamide
CID 119098435
2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide
CID 134463190
N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463191
2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide
CID 134463228
2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134465597
2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
CID 139789970
N,N-bis(1,1,2,2,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 139789971
N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,2-dimethylprop-2-enamide
CID 172797852
3-Methyl-1-(trifluoromethyl)pyrrole-2,5-dione
CID 174449567
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
2-methyl-N,N-bis(2-methylprop-2-enoyl)prop-2-enamide
CID 54303994
N-acetyl-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 88286213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (CID 134463206) is 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is C=C(C)C(=O)N(C(=O)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The InChIKey is VQHCKHLEJFUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NO2/c1-4(2)6(17)15(8(12,13)14)5(16)3-7(9,10)11/h1,3H2,2H3.
What are the key properties of 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide has a molecular weight of 263.14 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is sourced from PubChem (CID 134463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).