5-(4-chlorophenyl)-1,2,3-trifluorobenzene

C12H6ClF3 — CID 70674920

IUPAC5-(4-chlorophenyl)-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(Cl)cc2)cc(F)c1F
InChIInChI=1S/C12H6ClF3/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
InChIKeyHOEVSRIZBBBKOT-UHFFFAOYSA-N
MW242.63 g/mol
LogP4.42
Rot. Bonds1

About 5-(4-chlorophenyl)-1,2,3-trifluorobenzene

5-(4-chlorophenyl)-1,2,3-trifluorobenzene (PubChem CID 70674920) has the molecular formula C12H6ClF3 and a molecular weight of 242.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,2,3-trifluorobenzene
PubChem CID70674920
Molecular FormulaC12H6ClF3
Molecular Weight242.63 g/mol
Exact Mass242.01
IUPAC Name5-(4-chlorophenyl)-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(Cl)cc2)cc(F)c1F
InChIInChI=1S/C12H6ClF3/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
InChIKeyHOEVSRIZBBBKOT-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,2,3-trifluorobenzene?
The IUPAC name of 5-(4-chlorophenyl)-1,2,3-trifluorobenzene (CID 70674920) is 5-(4-chlorophenyl)-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-(4-chlorophenyl)-1,2,3-trifluorobenzene?
The canonical SMILES for 5-(4-chlorophenyl)-1,2,3-trifluorobenzene is Fc1cc(-c2ccc(Cl)cc2)cc(F)c1F.
What is the InChIKey of 5-(4-chlorophenyl)-1,2,3-trifluorobenzene?
The InChIKey is HOEVSRIZBBBKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H.
What are the key properties of 5-(4-chlorophenyl)-1,2,3-trifluorobenzene?
5-(4-chlorophenyl)-1,2,3-trifluorobenzene has a molecular weight of 242.63 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,2,3-trifluorobenzene is sourced from PubChem (CID 70674920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).