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

C7H6F3NO2S — CID 174546261

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESCC(OC=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-4(13-3-12)6-11-5(2-14-6)7(8,9)10/h2-4H,1H3
InChIKeyDBDQZXIQCLGDLA-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.40
Rot. Bonds3

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate (PubChem CID 174546261) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
PubChem CID174546261
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESCC(OC=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S/c1-4(13-3-12)6-11-5(2-14-6)7(8,9)10/h2-4H,1H3
InChIKeyDBDQZXIQCLGDLA-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate (CID 174546261) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate is CC(OC=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
The InChIKey is DBDQZXIQCLGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-4(13-3-12)6-11-5(2-14-6)7(8,9)10/h2-4H,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate has a molecular weight of 225.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate is sourced from PubChem (CID 174546261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).