1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene

C7H2BrF4IO — CID 171033225

IUPAC1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
SMILESFc1c(Br)cc(I)cc1OC(F)(F)F
InChIInChI=1S/C7H2BrF4IO/c8-4-1-3(13)2-5(6(4)9)14-7(10,11)12/h1-2H
InChIKeyWAZFRYJDRKFUDT-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.09
Rot. Bonds1

About 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene

1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene (PubChem CID 171033225) has the molecular formula C7H2BrF4IO and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
PubChem CID171033225
Molecular FormulaC7H2BrF4IO
Molecular Weight384.89 g/mol
Exact Mass383.83
IUPAC Name1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
SMILESFc1c(Br)cc(I)cc1OC(F)(F)F
InChIInChI=1S/C7H2BrF4IO/c8-4-1-3(13)2-5(6(4)9)14-7(10,11)12/h1-2H
InChIKeyWAZFRYJDRKFUDT-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.09
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

1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669
1-bromo-2-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)benzene
CID 171008016
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene (CID 171033225) is 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene is Fc1c(Br)cc(I)cc1OC(F)(F)F.
What is the InChIKey of 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene?
The InChIKey is WAZFRYJDRKFUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4IO/c8-4-1-3(13)2-5(6(4)9)14-7(10,11)12/h1-2H.
What are the key properties of 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene?
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene has a molecular weight of 384.89 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 171033225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).