N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide

C12H10F3NO — CID 24895741

IUPACN-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C=C)cccc1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c1-3-8-6-5-7-9(12(13,14)15)11(8)16-10(17)4-2/h3-7H,1-2H2,(H,16,17)
InChIKeyMCTSPFYLIRPLKV-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.47
Rot. Bonds3

About N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide

N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 24895741) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID24895741
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC NameN-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C=C)cccc1C(F)(F)F
InChIInChI=1S/C12H10F3NO/c1-3-8-6-5-7-9(12(13,14)15)11(8)16-10(17)4-2/h3-7H,1-2H2,(H,16,17)
InChIKeyMCTSPFYLIRPLKV-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.47
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 N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide (CID 24895741) is N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1c(C=C)cccc1C(F)(F)F.
What is the InChIKey of N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is MCTSPFYLIRPLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-3-8-6-5-7-9(12(13,14)15)11(8)16-10(17)4-2/h3-7H,1-2H2,(H,16,17).
What are the key properties of N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide?
N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 241.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 24895741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).