(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one

C15H8Cl3FO — CID 19562947

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl3FO/c16-9-4-5-11(13(18)8-9)15(20)7-6-10-12(17)2-1-3-14(10)19/h1-8H/b7-6+
InChIKeySADSPTLBEBUPPK-VOTSOKGWSA-N
MW329.59 g/mol
LogP5.68
Rot. Bonds3

About (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one

(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one (PubChem CID 19562947) has the molecular formula C15H8Cl3FO and a molecular weight of 329.59 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
PubChem CID19562947
Molecular FormulaC15H8Cl3FO
Molecular Weight329.59 g/mol
Exact Mass327.96
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl3FO/c16-9-4-5-11(13(18)8-9)15(20)7-6-10-12(17)2-1-3-14(10)19/h1-8H/b7-6+
InChIKeySADSPTLBEBUPPK-VOTSOKGWSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.59
LogP ≤ 55.68
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

1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 7947589
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 96883033
3-(2-chloro-6-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4866865
(E)-3-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 8857147
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-3-(2-chloro-6-fluorophenyl)-1-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
CID 19540848
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one (CID 19562947) is (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
The InChIKey is SADSPTLBEBUPPK-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H8Cl3FO/c16-9-4-5-11(13(18)8-9)15(20)7-6-10-12(17)2-1-3-14(10)19/h1-8H/b7-6+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one has a molecular weight of 329.59 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 19562947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).