4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde

C8H3BrClF3O2 — CID 134568072

IUPAC4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)c(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C8H3BrClF3O2/c9-7-5(10)1-4(3-14)2-6(7)15-8(11,12)13/h1-3H
InChIKeyJADCUIHDGRFQOO-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde

4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde (PubChem CID 134568072) has the molecular formula C8H3BrClF3O2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
PubChem CID134568072
Molecular FormulaC8H3BrClF3O2
Molecular Weight303.46 g/mol
Exact Mass301.90
IUPAC Name4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)c(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C8H3BrClF3O2/c9-7-5(10)1-4(3-14)2-6(7)15-8(11,12)13/h1-3H
InChIKeyJADCUIHDGRFQOO-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
CID 162531262
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
5-amino-2-bromo-3-(trifluoromethoxy)benzaldehyde
CID 131287439
5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169332018
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
CID 162531112
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
2-amino-4-chloro-6-(trifluoromethoxy)benzaldehyde
CID 119004708
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
3-[3-chloro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 57367865

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde (CID 134568072) is 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde is O=Cc1cc(Cl)c(Br)c(OC(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is JADCUIHDGRFQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClF3O2/c9-7-5(10)1-4(3-14)2-6(7)15-8(11,12)13/h1-3H.
What are the key properties of 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde?
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 303.46 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 134568072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).