5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene

C8H5BrClF3O2 — CID 68757966

IUPAC5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
SMILESCOc1c(Cl)cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H5BrClF3O2/c1-14-7-5(10)2-4(9)3-6(7)15-8(11,12)13/h2-3H,1H3
InChIKeyQCCJODNEDKYVCE-UHFFFAOYSA-N
MW305.48 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene

5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene (PubChem CID 68757966) has the molecular formula C8H5BrClF3O2 and a molecular weight of 305.48 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
PubChem CID68757966
Molecular FormulaC8H5BrClF3O2
Molecular Weight305.48 g/mol
Exact Mass303.91
IUPAC Name5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
SMILESCOc1c(Cl)cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H5BrClF3O2/c1-14-7-5(10)2-4(9)3-6(7)15-8(11,12)13/h2-3H,1H3
InChIKeyQCCJODNEDKYVCE-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
CID 156514394
1-[3-bromo-4-methoxy-5-(trifluoromethoxy)phenyl]ethanone;1,5-dibromo-2-methoxy-3-(trifluoromethoxy)benzene
CID 161089581
5-bromo-1-chloro-2-isocyanato-3-(trifluoromethoxy)benzene
CID 169352238
5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
CID 151998329
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CID 144770894
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
2-[4-bromo-2-chloro-6-(trifluoromethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168606506
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
CID 171373322
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5-bromo-2-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171009395
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene?
The IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene (CID 68757966) is 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene is COc1c(Cl)cc(Br)cc1OC(F)(F)F.
What is the InChIKey of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene?
The InChIKey is QCCJODNEDKYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O2/c1-14-7-5(10)2-4(9)3-6(7)15-8(11,12)13/h2-3H,1H3.
What are the key properties of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene?
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene has a molecular weight of 305.48 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 68757966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).