5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene

C12H5BrF4 — CID 15389836

IUPAC5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene
SMILESFc1cc(Br)ccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H5BrF4/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
InChIKeyOWPPGBVJDFFHCI-UHFFFAOYSA-N
MW305.07 g/mol
LogP4.67
Rot. Bonds1

About 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene

5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene (PubChem CID 15389836) has the molecular formula C12H5BrF4 and a molecular weight of 305.07 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene
PubChem CID15389836
Molecular FormulaC12H5BrF4
Molecular Weight305.07 g/mol
Exact Mass303.95
IUPAC Name5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene
SMILESFc1cc(Br)ccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H5BrF4/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
InChIKeyOWPPGBVJDFFHCI-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 54.67
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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Related Compounds

4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
2-Bromobiphenyl
CID 16329
3,3'-Dibromobiphenyl
CID 153987
3,4',5-Tribromobiphenyl
CID 155722
2,4,6-Tribromobiphenyl
CID 92358
3,4-Dibromobiphenyl
CID 181262
2,4-Dibromobiphenyl
CID 185748
3,4,5-Tribromobiphenyl
CID 189284

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene (CID 15389836) is 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene is Fc1cc(Br)ccc1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene?
The InChIKey is OWPPGBVJDFFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF4/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene?
5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene has a molecular weight of 305.07 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene is sourced from PubChem (CID 15389836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).