1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene

C7H2Br2F3IO — CID 26599128

IUPAC1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(Br)c1I
InChIInChI=1S/C7H2Br2F3IO/c8-3-1-4(9)6(13)5(2-3)14-7(10,11)12/h1-2H
InChIKeyWZGLRXSAYIDYOB-UHFFFAOYSA-N
MW445.80 g/mol
LogP4.71
Rot. Bonds1

About 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene

1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene (PubChem CID 26599128) has the molecular formula C7H2Br2F3IO and a molecular weight of 445.80 g/mol. Its IUPAC name is 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
PubChem CID26599128
Molecular FormulaC7H2Br2F3IO
Molecular Weight445.80 g/mol
Exact Mass443.75
IUPAC Name1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(Br)c1I
InChIInChI=1S/C7H2Br2F3IO/c8-3-1-4(9)6(13)5(2-3)14-7(10,11)12/h1-2H
InChIKeyWZGLRXSAYIDYOB-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)benzene
CID 171008016
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
CID 131397948
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225
5-bromo-2-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171009395
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
CID 144770894
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
1-[3-bromo-5-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]ethanone;1,5-dibromo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 162008560
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene?
The IUPAC name of 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene (CID 26599128) is 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Br)cc(Br)c1I.
What is the InChIKey of 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene?
The InChIKey is WZGLRXSAYIDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F3IO/c8-3-1-4(9)6(13)5(2-3)14-7(10,11)12/h1-2H.
What are the key properties of 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene?
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene has a molecular weight of 445.80 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 26599128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).