5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde

C8H3BrF4O — CID 54758728

IUPAC5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O/c9-5-1-4(3-14)7(10)6(2-5)8(11,12)13/h1-3H
InChIKeyNYEXEDWUBIBSMY-UHFFFAOYSA-N
MW271.01 g/mol
LogP3.42
Rot. Bonds1

About 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde

5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde (PubChem CID 54758728) has the molecular formula C8H3BrF4O and a molecular weight of 271.01 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
PubChem CID54758728
Molecular FormulaC8H3BrF4O
Molecular Weight271.01 g/mol
Exact Mass269.93
IUPAC Name5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O/c9-5-1-4(3-14)7(10)6(2-5)8(11,12)13/h1-3H
InChIKeyNYEXEDWUBIBSMY-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

4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788
5-bromo-2-fluoro-3-phenylbenzaldehyde
CID 163198089
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 146035323
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde
CID 162368242
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde (CID 54758728) is 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(Br)cc(C(F)(F)F)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde?
The InChIKey is NYEXEDWUBIBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O/c9-5-1-4(3-14)7(10)6(2-5)8(11,12)13/h1-3H.
What are the key properties of 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde?
5-bromo-2-fluoro-3-(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 5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 54758728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).