1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene

C7H2BrClF3I — CID 2736230

IUPAC1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(I)c(Br)c1
InChIInChI=1S/C7H2BrClF3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
InChIKeyRDWKEGGZLPOJAE-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.73
Rot. Bonds

About 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene

1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene (PubChem CID 2736230) has the molecular formula C7H2BrClF3I and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene
PubChem CID2736230
Molecular FormulaC7H2BrClF3I
Molecular Weight385.35 g/mol
Exact Mass383.80
IUPAC Name1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(I)c(Br)c1
InChIInChI=1S/C7H2BrClF3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
InChIKeyRDWKEGGZLPOJAE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene (CID 2736230) is 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)c(I)c(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene?
The InChIKey is RDWKEGGZLPOJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H.
What are the key properties of 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene?
1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene has a molecular weight of 385.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene is sourced from PubChem (CID 2736230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).