3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal

C7H6F3NOS — CID 142786520

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal
SMILESO=CCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)5-4-13-6(11-5)2-1-3-12/h3-4H,1-2H2
InChIKeyNZCLZVXFCBXRSE-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.29
Rot. Bonds3

About 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal (PubChem CID 142786520) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal
PubChem CID142786520
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal
SMILESO=CCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)5-4-13-6(11-5)2-1-3-12/h3-4H,1-2H2
InChIKeyNZCLZVXFCBXRSE-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.29
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-(Trifluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 20086717
2-(Difluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 20086728
4-Trifluoromethyl-thiazole-2-carbaldehyde
CID 23560689
2-(1,1-Difluoroethyl)-1,3-thiazole-4-carbaldehyde
CID 84767278
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-thiazole-4-carbaldehyde
CID 20086713
2-(2,2,2-Trifluoroethyl)thiazole-4-carbaldehyde
CID 58168539
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propan-1-one
CID 163518373
4-(2,2,2-Trifluoroethyl)thiazole-2-carbaldehyde
CID 167449138
2-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal
CID 174436063
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
CID 174546263
(2R)-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanal
CID 175028902
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 176371161

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal (CID 142786520) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal is O=CCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal?
The InChIKey is NZCLZVXFCBXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)5-4-13-6(11-5)2-1-3-12/h3-4H,1-2H2.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal has a molecular weight of 209.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanal is sourced from PubChem (CID 142786520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).