(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone

C13H3Cl4F3O — CID 105349314

IUPAC(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H3Cl4F3O/c14-5-3-6(15)9(16)10(17)8(5)13(21)4-1-2-7(18)12(20)11(4)19/h1-3H
InChIKeyZVDLAHGCBTUIIW-UHFFFAOYSA-N
MW373.97 g/mol
LogP5.95
Rot. Bonds2

About (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone

(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 105349314) has the molecular formula C13H3Cl4F3O and a molecular weight of 373.97 g/mol. Its IUPAC name is (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID105349314
Molecular FormulaC13H3Cl4F3O
Molecular Weight373.97 g/mol
Exact Mass371.89
IUPAC Name(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H3Cl4F3O/c14-5-3-6(15)9(16)10(17)8(5)13(21)4-1-2-7(18)12(20)11(4)19/h1-3H
InChIKeyZVDLAHGCBTUIIW-UHFFFAOYSA-N
XLogP5.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.95
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

(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349259
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938
(5-amino-2-bromo-4-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350302
(2-bromo-4-methylphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349193
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350296
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349322

Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone (CID 105349314) is (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is ZVDLAHGCBTUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3Cl4F3O/c14-5-3-6(15)9(16)10(17)8(5)13(21)4-1-2-7(18)12(20)11(4)19/h1-3H.
What are the key properties of (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone?
(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 373.97 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 105349314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).