(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one

C19H18F3NO2 — CID 129293885

IUPAC(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18F3NO2/c1-3-23(15-9-11-16(25-2)12-10-15)13-17(18(24)19(20,21)22)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b17-13-
InChIKeyZFIOXCFKPYMTKA-LGMDPLHJSA-N
MW349.35 g/mol
LogP4.69
Rot. Bonds6

About (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one

(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one (PubChem CID 129293885) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
PubChem CID129293885
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18F3NO2/c1-3-23(15-9-11-16(25-2)12-10-15)13-17(18(24)19(20,21)22)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b17-13-
InChIKeyZFIOXCFKPYMTKA-LGMDPLHJSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(N-ethyl-4-propan-2-ylanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 134192725
(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293830
(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
CID 129293986
(Z)-4-[ethyl-[4-[ethyl-[(E)-2-phenylprop-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 134192750
ethyl 2-(N-ethyl-4-methoxyanilino)-4,4-diphenylbut-3-enoate
CID 102204103
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
(E)-4-(diethylamino)-1-methoxy-3-phenylbut-3-en-2-one
CID 70608998
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1R,2S,3R)-2-nitro-1,3-diphenylpentyl]acetamide
CID 53231276
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-4-[2,3-dihydro-1H-indol-5-ylmethyl(ethyl)amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293857

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The IUPAC name of (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one (CID 129293885) is (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one is CCN(/C=C(\C(=O)C(F)(F)F)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
The InChIKey is ZFIOXCFKPYMTKA-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-3-23(15-9-11-16(25-2)12-10-15)13-17(18(24)19(20,21)22)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b17-13-.
What are the key properties of (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one?
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one has a molecular weight of 349.35 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one is sourced from PubChem (CID 129293885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).