1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene

C18H10Cl3F — CID 175475336

IUPAC1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
SMILESFc1c(-c2ccccc2)c(Cl)c(Cl)c(Cl)c1-c1ccccc1
InChIInChI=1S/C18H10Cl3F/c19-15-13(11-7-3-1-4-8-11)18(22)14(16(20)17(15)21)12-9-5-2-6-10-12/h1-10H
InChIKeyOFDBSUOGTZCMJJ-UHFFFAOYSA-N
MW351.64 g/mol
LogP7.12
Rot. Bonds2

About 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene

1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene (PubChem CID 175475336) has the molecular formula C18H10Cl3F and a molecular weight of 351.64 g/mol. Its IUPAC name is 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
PubChem CID175475336
Molecular FormulaC18H10Cl3F
Molecular Weight351.64 g/mol
Exact Mass349.98
IUPAC Name1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
SMILESFc1c(-c2ccccc2)c(Cl)c(Cl)c(Cl)c1-c1ccccc1
InChIInChI=1S/C18H10Cl3F/c19-15-13(11-7-3-1-4-8-11)18(22)14(16(20)17(15)21)12-9-5-2-6-10-12/h1-10H
InChIKeyOFDBSUOGTZCMJJ-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.64
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene?
The IUPAC name of 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene (CID 175475336) is 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene.
What is the SMILES notation for 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene?
The canonical SMILES for 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene is Fc1c(-c2ccccc2)c(Cl)c(Cl)c(Cl)c1-c1ccccc1.
What is the InChIKey of 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene?
The InChIKey is OFDBSUOGTZCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F/c19-15-13(11-7-3-1-4-8-11)18(22)14(16(20)17(15)21)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene?
1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene has a molecular weight of 351.64 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene is sourced from PubChem (CID 175475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).