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

C15H9Cl2FO — CID 5025678

IUPAC1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FO/c16-11-5-6-13(14(17)9-11)15(19)7-4-10-2-1-3-12(18)8-10/h1-9H
InChIKeyRQGIKXGNYNUHFY-UHFFFAOYSA-N
MW295.14 g/mol
LogP5.03
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 5025678) has the molecular formula C15H9Cl2FO and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
PubChem CID5025678
Molecular FormulaC15H9Cl2FO
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2FO/c16-11-5-6-13(14(17)9-11)15(19)7-4-10-2-1-3-12(18)8-10/h1-9H
InChIKeyRQGIKXGNYNUHFY-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.14
LogP ≤ 55.03
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

(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19562947
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19564738
(E)-1-(2-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 78787194
(E)-1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155562698
4-[3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5227575
1-(2,4-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 4555105
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(E)-3-(3-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 8826736
3-(3-fluorophenyl)prop-2-enoate
CID 53448593

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CID 5025678) is 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is O=C(C=Cc1cccc(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is RQGIKXGNYNUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO/c16-11-5-6-13(14(17)9-11)15(19)7-4-10-2-1-3-12(18)8-10/h1-9H.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 295.14 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5025678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).