6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde

C8H3BrF4O2 — CID 10214807

IUPAC6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1c(Br)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-5-1-2-6(15-8(11,12)13)7(10)4(5)3-14/h1-3H
InChIKeyVSTDYIZPPQVQTF-UHFFFAOYSA-N
MW287.01 g/mol
LogP3.30
Rot. Bonds2

About 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde

6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde (PubChem CID 10214807) has the molecular formula C8H3BrF4O2 and a molecular weight of 287.01 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde
PubChem CID10214807
Molecular FormulaC8H3BrF4O2
Molecular Weight287.01 g/mol
Exact Mass285.93
IUPAC Name6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1c(Br)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-5-1-2-6(15-8(11,12)13)7(10)4(5)3-14/h1-3H
InChIKeyVSTDYIZPPQVQTF-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.01
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde (CID 10214807) is 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde is O=Cc1c(Br)ccc(OC(F)(F)F)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde?
The InChIKey is VSTDYIZPPQVQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O2/c9-5-1-2-6(15-8(11,12)13)7(10)4(5)3-14/h1-3H.
What are the key properties of 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde?
6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde has a molecular weight of 287.01 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 10214807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).