1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene

C7H2BrF4IO — CID 171033218

IUPAC1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2BrF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H
InChIKeyXTZOHGMZRLEPPN-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.09
Rot. Bonds1

About 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene

1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene (PubChem CID 171033218) has the molecular formula C7H2BrF4IO and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
PubChem CID171033218
Molecular FormulaC7H2BrF4IO
Molecular Weight384.89 g/mol
Exact Mass383.83
IUPAC Name1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H2BrF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H
InChIKeyXTZOHGMZRLEPPN-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-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
1-[5-bromo-2-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 131629056
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene (CID 171033218) is 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene is Fc1cc(Br)c(OC(F)(F)F)cc1I.
What is the InChIKey of 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
The InChIKey is XTZOHGMZRLEPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4IO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H.
What are the key properties of 1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene?
1-bromo-5-fluoro-4-iodo-2-(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-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 171033218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).