2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde

C5H3F2NOS — CID 123302311

IUPAC2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(F)(F)c1nccs1
InChIInChI=1S/C5H3F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-3H
InChIKeyXQAJDQXVKKNFGO-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.43
Rot. Bonds2

About 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde

2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde (PubChem CID 123302311) has the molecular formula C5H3F2NOS and a molecular weight of 163.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde
PubChem CID123302311
Molecular FormulaC5H3F2NOS
Molecular Weight163.15 g/mol
Exact Mass162.99
IUPAC Name2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(F)(F)c1nccs1
InChIInChI=1S/C5H3F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-3H
InChIKeyXQAJDQXVKKNFGO-UHFFFAOYSA-N
XLogP1.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.43
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

1,3-Thiazole-2-carbaldehyde
CID 2734903
2-(1,3-Thiazol-2-yl)propanedial
CID 23459416
2-(Trifluoroacetyl)thiazole
CID 22106684
2-(2,2-Difluoroethyl)-1,3-thiazole
CID 54002097
2-(2,2,2-Trifluoroethyl)-1,3-thiazole
CID 67135522
2,2-Difluoro-1-(1,3-thiazol-2-YL)ethan-1-one
CID 86658234
2,2-Difluoro-2-(1,3-thiazol-2-yl)ethan-1-ol
CID 86775222
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-thiazole
CID 91318446
1,1-Difluoro-3-(1,3-thiazol-2-yl)propan-2-one
CID 112574142
Ethyl 2,2-difluoro-2-(1,3-thiazol-2-yl)acetate
CID 132350873
2-Fluoro-2-(1,3-thiazol-2-yl)propanal
CID 174667422
2-(1,2,2-Trifluoroethyl)-1,3-thiazole
CID 175278433

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde (CID 123302311) is 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde is O=CC(F)(F)c1nccs1.
What is the InChIKey of 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is XQAJDQXVKKNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-3H.
What are the key properties of 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 163.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 123302311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).