1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene

C8H3BrCl3F3O — CID 71669577

IUPAC1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(OC(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H3BrCl3F3O/c9-5-1-4(7(13,14)15)2-6(3-5)16-8(10,11)12/h1-3H
InChIKeyCBXJPEGKZVAWDD-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.17
Rot. Bonds1

About 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene

1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene (PubChem CID 71669577) has the molecular formula C8H3BrCl3F3O and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
PubChem CID71669577
Molecular FormulaC8H3BrCl3F3O
Molecular Weight358.37 g/mol
Exact Mass355.84
IUPAC Name1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(OC(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H3BrCl3F3O/c9-5-1-4(7(13,14)15)2-6(3-5)16-8(10,11)12/h1-3H
InChIKeyCBXJPEGKZVAWDD-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
CID 167715732
2-[3-bromo-5-(trifluoromethyl)phenoxy]-2-methylpropanamide
CID 165412307
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
1-bromo-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)-5-(trifluoromethoxy)benzene
CID 123684675
methyl N-[3-bromo-5-(trifluoromethyl)phenoxy]carbamate
CID 174346926
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
1-bromo-3,5-bis(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 173038440

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene (CID 71669577) is 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)cc(OC(Cl)(Cl)Cl)c1.
What is the InChIKey of 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene?
The InChIKey is CBXJPEGKZVAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl3F3O/c9-5-1-4(7(13,14)15)2-6(3-5)16-8(10,11)12/h1-3H.
What are the key properties of 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene?
1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene has a molecular weight of 358.37 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 71669577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).