5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde

C9H9FO2S — CID 63802715

IUPAC5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1SCCO
InChIInChI=1S/C9H9FO2S/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6,11H,3-4H2
InChIKeySUELOGOTDOLHJZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.72
Rot. Bonds4

About 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde

5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde (PubChem CID 63802715) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
PubChem CID63802715
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1SCCO
InChIInChI=1S/C9H9FO2S/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6,11H,3-4H2
InChIKeySUELOGOTDOLHJZ-UHFFFAOYSA-N
XLogP1.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 54185176
4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 63667150
5-fluoro-2-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63801901
5-fluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzaldehyde
CID 65041385
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
CID 63802214
5-fluoro-2-(2-hydroxypropyl)benzaldehyde
CID 117279046
5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 63803028
5-chloro-2-(3-methoxypropylsulfanyl)benzaldehyde
CID 114863739
5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802367
2-(1-ethylimidazol-2-yl)sulfanyl-5-fluorobenzaldehyde
CID 88622742

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde (CID 63802715) is 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde is O=Cc1cc(F)ccc1SCCO.
What is the InChIKey of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde?
The InChIKey is SUELOGOTDOLHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6,11H,3-4H2.
What are the key properties of 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde?
5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde has a molecular weight of 200.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde is sourced from PubChem (CID 63802715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).