1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione

C15H9F3O3 — CID 118644019

IUPAC1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H9F3O3/c1-21-13-5-2-8(6-12(13)18)14(19)15(20)10-4-3-9(16)7-11(10)17/h2-7H,1H3
InChIKeyUUTJUPCCKNWVOK-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.18
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione

1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione (PubChem CID 118644019) has the molecular formula C15H9F3O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
PubChem CID118644019
Molecular FormulaC15H9F3O3
Molecular Weight294.23 g/mol
Exact Mass294.05
IUPAC Name1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H9F3O3/c1-21-13-5-2-8(6-12(13)18)14(19)15(20)10-4-3-9(16)7-11(10)17/h2-7H,1H3
InChIKeyUUTJUPCCKNWVOK-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
3-fluoro-4-methoxybenzoate
CID 4251674
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
CID 94270213
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione (CID 118644019) is 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione is COc1ccc(C(=O)C(=O)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione?
The InChIKey is UUTJUPCCKNWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3/c1-21-13-5-2-8(6-12(13)18)14(19)15(20)10-4-3-9(16)7-11(10)17/h2-7H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione?
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione has a molecular weight of 294.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 118644019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).