(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one

C15H10F3NO — CID 18527574

IUPAC(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H10F3NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7-
InChIKeyLKQFJICYGLHEBY-FPLPWBNLSA-N
MW277.25 g/mol
LogP3.91
Rot. Bonds4

About (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one

(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 18527574) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID18527574
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H10F3NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7-
InChIKeyLKQFJICYGLHEBY-FPLPWBNLSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-(2,4-difluoroanilino)prop-2-en-1-one
CID 818382
(E)-3-(2,4-difluoroanilino)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2179083
3-(2,4-difluoroanilino)-1-[3-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 5253519
3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 876362
3-(4-bromo-2-fluoroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 4012700
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
(E)-3-(2,3-dimethylanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 19581250
(E)-3-(4-bromo-2-fluoroanilino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 51045921
3-(4-bromo-2-fluoroanilino)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 4045664
1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
CID 171157335
N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
CID 19580690
2-[3-(2,4-difluoroanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
CID 1471005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one (CID 18527574) is (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C\Nc1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is LKQFJICYGLHEBY-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7-.
What are the key properties of (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 277.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 18527574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).