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

C8H12F3NO — CID 134988475

IUPACN,N-diethyl-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-12(5-2)7(13)6(3)8(9,10)11/h3-5H2,1-2H3
InChIKeyXXLCLDYYTOVVNN-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.97
Rot. Bonds3

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

N,N-diethyl-2-(trifluoromethyl)prop-2-enamide (PubChem CID 134988475) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)prop-2-enamide
PubChem CID134988475
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN,N-diethyl-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-12(5-2)7(13)6(3)8(9,10)11/h3-5H2,1-2H3
InChIKeyXXLCLDYYTOVVNN-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)prop-2-enamide (CID 134988475) is N,N-diethyl-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)prop-2-enamide is C=C(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is XXLCLDYYTOVVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-4-12(5-2)7(13)6(3)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)prop-2-enamide?
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 195.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 134988475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).