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

C7H6F3NO2S — CID 174546263

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESO=COCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-14-6(11-5)1-2-13-4-12/h3-4H,1-2H2
InChIKeyNKAAXEHKYUVZAS-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.88
Rot. Bonds4

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

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate (PubChem CID 174546263) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
PubChem CID174546263
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESO=COCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-14-6(11-5)1-2-13-4-12/h3-4H,1-2H2
InChIKeyNKAAXEHKYUVZAS-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 50987248
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
CID 66751810
Ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
CID 67486404
2-(4-(Trifluoromethyl)thiazol-2-yl)ethan-1-ol
CID 84667361
2-[4-(Difluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 84772560
[2-(4-Bromo-1,3-thiazol-2-yl)-2,2-difluoroethyl] formate
CID 118459111
3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propanal
CID 142786520
2-(Oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 164588486
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
CID 174546261
Ethyl formate;4-(trifluoromethyl)-1,3-thiazole
CID 174546262
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 176371161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate (CID 174546263) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate is O=COCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The InChIKey is NKAAXEHKYUVZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)5-3-14-6(11-5)1-2-13-4-12/h3-4H,1-2H2.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate has a molecular weight of 225.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate is sourced from PubChem (CID 174546263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).