4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde

C8H3BrF4O — CID 131354810

IUPAC4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(F)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF4O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H
InChIKeyLSAGTHOKBIROJV-UHFFFAOYSA-N
MW271.01 g/mol
LogP3.42
Rot. Bonds1

About 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde

4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde (PubChem CID 131354810) has the molecular formula C8H3BrF4O and a molecular weight of 271.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
PubChem CID131354810
Molecular FormulaC8H3BrF4O
Molecular Weight271.01 g/mol
Exact Mass269.93
IUPAC Name4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(F)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF4O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H
InChIKeyLSAGTHOKBIROJV-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.01
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-(trifluoromethyl)benzaldehyde
CID 19995596
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
4-ethyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 88578381
4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 171008432
4-bromo-2-fluoro-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 163388439
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
4-bromo-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 163388467
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
2,4,6-trifluoro-3-(trifluoromethyl)benzaldehyde
CID 19995599
4-formyl-3,5-bis(trifluoromethyl)benzonitrile
CID 119014976

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde (CID 131354810) is 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde is O=Cc1c(F)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The InChIKey is LSAGTHOKBIROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H.
What are the key properties of 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde?
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde has a molecular weight of 271.01 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 131354810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).