(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C13H13F4NO — CID 78858681

IUPAC(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCCN(CC(F)(F)F)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H13F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3/b8-5+
InChIKeyCHQBBOJJJHDYCZ-VMPITWQZSA-N
MW275.25 g/mol
LogP3.25
Rot. Bonds4

About (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 78858681) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID78858681
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCCN(CC(F)(F)F)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H13F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3/b8-5+
InChIKeyCHQBBOJJJHDYCZ-VMPITWQZSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.25
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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Related Compounds

N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531150
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
methyl 4-[3-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 103598129
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
2-[ethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 76865238
(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 103915340
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 78858681) is (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is CHQBBOJJJHDYCZ-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3/b8-5+.
What are the key properties of (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 275.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 78858681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).