2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone

C14H6Cl4F2O — CID 105349322

IUPAC2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H6Cl4F2O/c15-7-5-8(16)13(17)14(18)12(7)11(21)4-6-1-2-9(19)10(20)3-6/h1-3,5H,4H2
InChIKeyMAGDCELVOOOZCJ-UHFFFAOYSA-N
MW370.01 g/mol
LogP6.00
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone

2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone (PubChem CID 105349322) has the molecular formula C14H6Cl4F2O and a molecular weight of 370.01 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
PubChem CID105349322
Molecular FormulaC14H6Cl4F2O
Molecular Weight370.01 g/mol
Exact Mass367.91
IUPAC Name2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H6Cl4F2O/c15-7-5-8(16)13(17)14(18)12(7)11(21)4-6-1-2-9(19)10(20)3-6/h1-3,5H,4H2
InChIKeyMAGDCELVOOOZCJ-UHFFFAOYSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.01
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349259
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
4,4,4-trifluoro-1-(2,3,4,6-tetrachlorophenyl)butan-1-one
CID 105349354
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 105349314
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349407

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone (CID 105349322) is 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone is O=C(Cc1ccc(F)c(F)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
The InChIKey is MAGDCELVOOOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4F2O/c15-7-5-8(16)13(17)14(18)12(7)11(21)4-6-1-2-9(19)10(20)3-6/h1-3,5H,4H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone?
2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone has a molecular weight of 370.01 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone is sourced from PubChem (CID 105349322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).