(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone

C13H4Cl5FO — CID 105349259

IUPAC(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H4Cl5FO/c14-5-1-2-9(19)6(3-5)13(20)10-7(15)4-8(16)11(17)12(10)18/h1-4H
InChIKeyNDEUWXHUBDYDCN-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.32
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone

(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone (PubChem CID 105349259) has the molecular formula C13H4Cl5FO and a molecular weight of 372.44 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
PubChem CID105349259
Molecular FormulaC13H4Cl5FO
Molecular Weight372.44 g/mol
Exact Mass369.87
IUPAC Name(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H4Cl5FO/c14-5-1-2-9(19)6(3-5)13(20)10-7(15)4-8(16)11(17)12(10)18/h1-4H
InChIKeyNDEUWXHUBDYDCN-UHFFFAOYSA-N
XLogP6.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.32
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

(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 105349314
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(5-amino-2-bromo-4-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350302
5-chloro-2-fluorobenzoyl chloride
CID 2773604
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2-bromo-4-methylphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349193
2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349322
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone (CID 105349259) is (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone is O=C(c1cc(Cl)ccc1F)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The InChIKey is NDEUWXHUBDYDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl5FO/c14-5-1-2-9(19)6(3-5)13(20)10-7(15)4-8(16)11(17)12(10)18/h1-4H.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone has a molecular weight of 372.44 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone is sourced from PubChem (CID 105349259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).