4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde

C6H2BrF3O2S — CID 151738399

IUPAC4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1scc(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2BrF3O2S/c7-3-2-13-4(1-11)5(3)12-6(8,9)10/h1-2H
InChIKeyRLZZKHOAUMZPGE-UHFFFAOYSA-N
MW275.04 g/mol
LogP3.22
Rot. Bonds2

About 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde

4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde (PubChem CID 151738399) has the molecular formula C6H2BrF3O2S and a molecular weight of 275.04 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde
PubChem CID151738399
Molecular FormulaC6H2BrF3O2S
Molecular Weight275.04 g/mol
Exact Mass273.89
IUPAC Name4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1scc(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2BrF3O2S/c7-3-2-13-4(1-11)5(3)12-6(8,9)10/h1-2H
InChIKeyRLZZKHOAUMZPGE-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromothiophene-2,3-dicarbaldehyde
CID 42614189
3-amino-6-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287442
5-amino-3-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287437
4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde
CID 153338645
3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
CID 162531262
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
2-acetyl-4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 171000313
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
CID 168651965

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde?
The IUPAC name of 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde (CID 151738399) is 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde?
The canonical SMILES for 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde is O=Cc1scc(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde?
The InChIKey is RLZZKHOAUMZPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3O2S/c7-3-2-13-4(1-11)5(3)12-6(8,9)10/h1-2H.
What are the key properties of 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde?
4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde has a molecular weight of 275.04 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethoxy)thiophene-2-carbaldehyde is sourced from PubChem (CID 151738399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).