5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde

C6H5F2NOS — CID 84767276

IUPAC5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(F)(F)c1cnc(C=O)s1
InChIInChI=1S/C6H5F2NOS/c1-6(7,8)4-2-9-5(3-10)11-4/h2-3H,1H3
InChIKeyQHIHKZGKHCKFMQ-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.07
Rot. Bonds2

About 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde

5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 84767276) has the molecular formula C6H5F2NOS and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID84767276
Molecular FormulaC6H5F2NOS
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(F)(F)c1cnc(C=O)s1
InChIInChI=1S/C6H5F2NOS/c1-6(7,8)4-2-9-5(3-10)11-4/h2-3H,1H3
InChIKeyQHIHKZGKHCKFMQ-UHFFFAOYSA-N
XLogP2.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.07
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

5-Methyl-1,3-thiazole-2-carbaldehyde
CID 13968795
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
5-(Trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 53418329
5-(Propan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 75480714
5-Tert-butyl-1,3-thiazole-2-carbaldehyde
CID 91647462
5-((Methylsulfanyl)methyl)-1,3-thiazole-2-carbaldehyde
CID 119056807
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
2,2,2-Trifluoro-1-(5-methylthiazol-2-yl)ethanone
CID 59693882
5-(2-Methoxyethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 66911472

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde (CID 84767276) is 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde is CC(F)(F)c1cnc(C=O)s1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is QHIHKZGKHCKFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS/c1-6(7,8)4-2-9-5(3-10)11-4/h2-3H,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde?
5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 84767276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).