6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde

C10H11BrF2OS — CID 156855521

IUPAC6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde
SMILESCS(C)(C)c1c(F)cc(Br)c(C=O)c1F
InChIInChI=1S/C10H11BrF2OS/c1-15(2,3)10-8(12)4-7(11)6(5-14)9(10)13/h4-5H,1-3H3
InChIKeyBFFNKNFRENFHLQ-UHFFFAOYSA-N
MW297.16 g/mol
LogP3.59
Rot. Bonds2

About 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde

6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde (PubChem CID 156855521) has the molecular formula C10H11BrF2OS and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde.

Molecular Properties

Compound Name6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde
PubChem CID156855521
Molecular FormulaC10H11BrF2OS
Molecular Weight297.16 g/mol
Exact Mass295.97
IUPAC Name6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde
SMILESCS(C)(C)c1c(F)cc(Br)c(C=O)c1F
InChIInChI=1S/C10H11BrF2OS/c1-15(2,3)10-8(12)4-7(11)6(5-14)9(10)13/h4-5H,1-3H3
InChIKeyBFFNKNFRENFHLQ-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 53.59
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-Bromo-5-(methylsulfanyl)benzaldehyde
CID 131445684
3-Bromo-2-(tert-butylsulfanyl)-6-fluorobenzaldehyde
CID 86662411
2-(4-Bromophenyl)sulfanyl-6-fluorobenzaldehyde
CID 108311128
2-Bromo-3-fluoro-6-methylsulfanylbenzaldehyde
CID 118165075
1-(2-Bromo-6-fluoro-3-(methylthio)phenyl)-2,2,2-trifluoroethanone
CID 167528147
2-Bromo-5-(trifluoromethylsulfanyl)benzaldehyde
CID 169095213
3-[(2-Bromo-4-fluorophenyl)methylsulfanyl]benzaldehyde
CID 66354078
3-[(2-Bromo-3-fluorophenyl)methylsulfanyl]benzaldehyde
CID 81514827
3-(4-Bromophenyl)sulfanyl-5-fluorobenzaldehyde
CID 106533617
3-[(3-Bromo-2,6-difluorophenyl)methylsulfanyl]benzaldehyde
CID 114166061
3-Bromo-5-fluoro-4-methylsulfanylbenzaldehyde
CID 117275462
2-Bromo-6-fluoro-3-(methylthio)benzaldehyde
CID 131466147

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde?
The IUPAC name of 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde (CID 156855521) is 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde.
What is the SMILES notation for 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde?
The canonical SMILES for 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde is CS(C)(C)c1c(F)cc(Br)c(C=O)c1F.
What is the InChIKey of 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde?
The InChIKey is BFFNKNFRENFHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2OS/c1-15(2,3)10-8(12)4-7(11)6(5-14)9(10)13/h4-5H,1-3H3.
What are the key properties of 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde?
6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde has a molecular weight of 297.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-difluoro-3-(trimethyl-λ4-sulfanyl)benzaldehyde is sourced from PubChem (CID 156855521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).