5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde

C6H2BrF3OS — CID 82380305

IUPAC5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1sc(Br)cc1C(F)(F)F
InChIInChI=1S/C6H2BrF3OS/c7-5-1-3(6(8,9)10)4(2-11)12-5/h1-2H
InChIKeyKANQZYQJVLZZKM-UHFFFAOYSA-N
MW259.05 g/mol
LogP3.34
Rot. Bonds1

About 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde

5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde (PubChem CID 82380305) has the molecular formula C6H2BrF3OS and a molecular weight of 259.05 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
PubChem CID82380305
Molecular FormulaC6H2BrF3OS
Molecular Weight259.05 g/mol
Exact Mass257.90
IUPAC Name5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1sc(Br)cc1C(F)(F)F
InChIInChI=1S/C6H2BrF3OS/c7-5-1-3(6(8,9)10)4(2-11)12-5/h1-2H
InChIKeyKANQZYQJVLZZKM-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 53.34
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

5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
5-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
CID 60792719
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one
CID 73012527
3-bromo-2-ethenyl-5-(trifluoromethyl)thiophene
CID 167031645
5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile
CID 121229208
4-bromo-2-fluoro-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 163388439
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
ethyl 3-(5-bromo-2-formylthiophen-3-yl)-2,2-dimethylpropanoate
CID 143918560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde (CID 82380305) is 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde is O=Cc1sc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde?
The InChIKey is KANQZYQJVLZZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3OS/c7-5-1-3(6(8,9)10)4(2-11)12-5/h1-2H.
What are the key properties of 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde?
5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde has a molecular weight of 259.05 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82380305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).