2-fluoro-2-(1,3-thiazol-2-yl)propanal

C6H6FNOS — CID 174667422

IUPAC2-fluoro-2-(1,3-thiazol-2-yl)propanal
SMILESCC(F)(C=O)c1nccs1
InChIInChI=1S/C6H6FNOS/c1-6(7,4-9)5-8-2-3-10-5/h2-4H,1H3
InChIKeyOCWXUXUMTWTQIY-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.53
Rot. Bonds2

About 2-fluoro-2-(1,3-thiazol-2-yl)propanal

2-fluoro-2-(1,3-thiazol-2-yl)propanal (PubChem CID 174667422) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-thiazol-2-yl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(1,3-thiazol-2-yl)propanal
PubChem CID174667422
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name2-fluoro-2-(1,3-thiazol-2-yl)propanal
SMILESCC(F)(C=O)c1nccs1
InChIInChI=1S/C6H6FNOS/c1-6(7,4-9)5-8-2-3-10-5/h2-4H,1H3
InChIKeyOCWXUXUMTWTQIY-UHFFFAOYSA-N
XLogP1.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.53
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

2-(1,3-Thiazol-2-yl)propanedial
CID 23459416
Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
Potassium 2-(1,3-thiazol-2-yl)propanoate
CID 137943676
Methyl 2-(1,3-thiazol-2-yl)propanoate
CID 13331888
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228
Methyl 2-(1,3-thiazol-2-yl)acetate
CID 23067436
2-Fluoro-1-(1,3-thiazol-2-yl)ethanone
CID 88360207
1,1-Difluoro-3-(1,3-thiazol-2-yl)propan-2-one
CID 112574142
2,2-Difluoro-2-(1,3-thiazol-2-yl)acetaldehyde
CID 123302311
2-Fluoro-1-(1,3-thiazol-2-yl)propan-1-one
CID 126704503
Ethyl 2,2-difluoro-2-(1,3-thiazol-2-yl)acetate
CID 132350873
2-Fluoro-2-(1,3-thiazol-2-yl)acetaldehyde
CID 175429249

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3-thiazol-2-yl)propanal?
The IUPAC name of 2-fluoro-2-(1,3-thiazol-2-yl)propanal (CID 174667422) is 2-fluoro-2-(1,3-thiazol-2-yl)propanal.
What is the SMILES notation for 2-fluoro-2-(1,3-thiazol-2-yl)propanal?
The canonical SMILES for 2-fluoro-2-(1,3-thiazol-2-yl)propanal is CC(F)(C=O)c1nccs1.
What is the InChIKey of 2-fluoro-2-(1,3-thiazol-2-yl)propanal?
The InChIKey is OCWXUXUMTWTQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c1-6(7,4-9)5-8-2-3-10-5/h2-4H,1H3.
What are the key properties of 2-fluoro-2-(1,3-thiazol-2-yl)propanal?
2-fluoro-2-(1,3-thiazol-2-yl)propanal has a molecular weight of 159.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3-thiazol-2-yl)propanal is sourced from PubChem (CID 174667422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).