1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene

C7H2BrCl2F3O — CID 53217040

IUPAC1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C7H2BrCl2F3O/c8-3-1-6(14-7(11,12)13)5(10)2-4(3)9/h1-2H
InChIKeyKKUZNWGBIDSKRE-UHFFFAOYSA-N
MW309.90 g/mol
LogP4.65
Rot. Bonds1

About 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene

1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene (PubChem CID 53217040) has the molecular formula C7H2BrCl2F3O and a molecular weight of 309.90 g/mol. Its IUPAC name is 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
PubChem CID53217040
Molecular FormulaC7H2BrCl2F3O
Molecular Weight309.90 g/mol
Exact Mass307.86
IUPAC Name1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C7H2BrCl2F3O/c8-3-1-6(14-7(11,12)13)5(10)2-4(3)9/h1-2H
InChIKeyKKUZNWGBIDSKRE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.90
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171032832
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
CID 134568072
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805
bromozinc(1+);2-chloro-4-methanidyl-1-(trifluoromethoxy)benzene
CID 146001700
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene (CID 53217040) is 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Br)c(Cl)cc1Cl.
What is the InChIKey of 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene?
The InChIKey is KKUZNWGBIDSKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F3O/c8-3-1-6(14-7(11,12)13)5(10)2-4(3)9/h1-2H.
What are the key properties of 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene?
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene has a molecular weight of 309.90 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 53217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).