(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone

C13H5Cl4FO — CID 105348938

IUPAC(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl4FO/c14-6-4-9(16)11(10(17)5-6)13(19)7-2-1-3-8(15)12(7)18/h1-5H
InChIKeyJHGJOGBGOJVBRI-UHFFFAOYSA-N
MW337.99 g/mol
LogP5.67
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone

(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone (PubChem CID 105348938) has the molecular formula C13H5Cl4FO and a molecular weight of 337.99 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
PubChem CID105348938
Molecular FormulaC13H5Cl4FO
Molecular Weight337.99 g/mol
Exact Mass335.91
IUPAC Name(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl4FO/c14-6-4-9(16)11(10(17)5-6)13(19)7-2-1-3-8(15)12(7)18/h1-5H
InChIKeyJHGJOGBGOJVBRI-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.99
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 105349314
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone (CID 105348938) is (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone is O=C(c1cccc(Cl)c1F)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone?
The InChIKey is JHGJOGBGOJVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4FO/c14-6-4-9(16)11(10(17)5-6)13(19)7-2-1-3-8(15)12(7)18/h1-5H.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone?
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone has a molecular weight of 337.99 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone is sourced from PubChem (CID 105348938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).