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

C7H2Br2ClF3O — CID 171006403

IUPAC1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)c(Br)c(Br)c1
InChIInChI=1S/C7H2Br2ClF3O/c8-4-1-3(14-7(11,12)13)2-5(10)6(4)9/h1-2H
InChIKeyZFTXRRUKPHUXIW-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.76
Rot. Bonds1

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

1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene (PubChem CID 171006403) has the molecular formula C7H2Br2ClF3O and a molecular weight of 354.35 g/mol. Its IUPAC name is 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
PubChem CID171006403
Molecular FormulaC7H2Br2ClF3O
Molecular Weight354.35 g/mol
Exact Mass351.81
IUPAC Name1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)c(Br)c(Br)c1
InChIInChI=1S/C7H2Br2ClF3O/c8-4-1-3(14-7(11,12)13)2-5(10)6(4)9/h1-2H
InChIKeyZFTXRRUKPHUXIW-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_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
1-[2-bromo-6-chloro-4-(trifluoromethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168709677
1-chloro-2-fluoro-3-nitro-5-(trifluoromethoxy)benzene
CID 19821773
2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate
CID 87286976

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene (CID 171006403) is 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Cl)c(Br)c(Br)c1.
What is the InChIKey of 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene?
The InChIKey is ZFTXRRUKPHUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClF3O/c8-4-1-3(14-7(11,12)13)2-5(10)6(4)9/h1-2H.
What are the key properties of 1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene?
1,2-dibromo-3-chloro-5-(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-3-chloro-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 171006403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).