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

C7H2Br2ClF3O — CID 171006255

IUPAC1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(Br)c1Br
InChIInChI=1S/C7H2Br2ClF3O/c8-4-1-3(10)2-5(6(4)9)14-7(11,12)13/h1-2H
InChIKeyGPPKLMCOLBPQKM-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.76
Rot. Bonds1

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

1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene (PubChem CID 171006255) has the molecular formula C7H2Br2ClF3O and a molecular weight of 354.35 g/mol. Its IUPAC name is 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
PubChem CID171006255
Molecular FormulaC7H2Br2ClF3O
Molecular Weight354.35 g/mol
Exact Mass351.81
IUPAC Name1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(Br)c1Br
InChIInChI=1S/C7H2Br2ClF3O/c8-4-1-3(10)2-5(6(4)9)14-7(11,12)13/h1-2H
InChIKeyGPPKLMCOLBPQKM-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.76
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

3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
CID 134568072
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene (CID 171006255) is 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Cl)cc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene?
The InChIKey is GPPKLMCOLBPQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClF3O/c8-4-1-3(10)2-5(6(4)9)14-7(11,12)13/h1-2H.
What are the key properties of 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene?
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene has a molecular weight of 354.35 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 171006255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).