6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde

C8H6ClFOS — CID 164891692

IUPAC6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
SMILESCSc1ccc(Cl)c(C=O)c1F
InChIInChI=1S/C8H6ClFOS/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-4H,1H3
InChIKeyGAWQMBFDYZSMNE-UHFFFAOYSA-N
MW204.65 g/mol
LogP3.01
Rot. Bonds2

About 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde

6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde (PubChem CID 164891692) has the molecular formula C8H6ClFOS and a molecular weight of 204.65 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
PubChem CID164891692
Molecular FormulaC8H6ClFOS
Molecular Weight204.65 g/mol
Exact Mass203.98
IUPAC Name6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
SMILESCSc1ccc(Cl)c(C=O)c1F
InChIInChI=1S/C8H6ClFOS/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-4H,1H3
InChIKeyGAWQMBFDYZSMNE-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 53.01
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

2-chloro-3-fluoro-4-methylsulfanylbenzaldehyde
CID 146035038
1-chloro-3-fluoro-2,4-bis(methylsulfanyl)benzene
CID 171366507
6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
CID 105454924
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)-2,2-difluoroethanone
CID 171366434
4-chloro-3-fluoro-2-methylsulfanylbenzaldehyde
CID 164890843
6-amino-3-chloro-2-fluorobenzaldehyde
CID 126525308
2,6-dichlorobenzaldehyde;ethane
CID 90823593
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202
2,6-dichloro-4-methylsulfanylbenzaldehyde
CID 87864028
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171366575
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde?
The IUPAC name of 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde (CID 164891692) is 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde.
What is the SMILES notation for 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde?
The canonical SMILES for 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde is CSc1ccc(Cl)c(C=O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde?
The InChIKey is GAWQMBFDYZSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFOS/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-4H,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde?
6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde has a molecular weight of 204.65 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde is sourced from PubChem (CID 164891692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).