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

C8H4BrF3O3 — CID 162531262

IUPAC3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H4BrF3O3/c9-5-1-4(3-13)2-6(7(5)14)15-8(10,11)12/h1-3,14H
InChIKeyIUGDREQYIJQBBJ-UHFFFAOYSA-N
MW285.01 g/mol
LogP2.87
Rot. Bonds2

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

3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde (PubChem CID 162531262) has the molecular formula C8H4BrF3O3 and a molecular weight of 285.01 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
PubChem CID162531262
Molecular FormulaC8H4BrF3O3
Molecular Weight285.01 g/mol
Exact Mass283.93
IUPAC Name3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H4BrF3O3/c9-5-1-4(3-13)2-6(7(5)14)15-8(10,11)12/h1-3,14H
InChIKeyIUGDREQYIJQBBJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.01
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
CID 134568072
3-bromo-4-phenylmethoxy-5-(trifluoromethoxy)benzaldehyde
CID 162531112
3-bromo-5-butoxy-4-hydroxybenzaldehyde
CID 102132609
2-bromo-4-nitro-6-(trifluoromethoxy)phenol
CID 99770302
3-bromo-4,5-dimethoxybenzaldehyde;3-bromo-4-hydroxy-5-methoxybenzaldehyde;1-bromo-2,3,5-trimethoxybenzene
CID 158403015
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
4-acetyl-3-(trifluoromethoxy)benzaldehyde
CID 170909674
3-formyl-5-(trifluoromethoxy)benzoic acid
CID 154727146
3-bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43627010
3-bromo-4-fluoro-5-hydroxybenzaldehyde
CID 84786434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde (CID 162531262) is 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde is O=Cc1cc(Br)c(O)c(OC(F)(F)F)c1.
What is the InChIKey of 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is IUGDREQYIJQBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3O3/c9-5-1-4(3-13)2-6(7(5)14)15-8(10,11)12/h1-3,14H.
What are the key properties of 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde?
3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 285.01 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 162531262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).