2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

C7H4F6N2O2S — CID 50989389

IUPAC2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(C(F)(F)F)cs1)OCC(F)(F)F
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)2-17-5(16)15-4-14-3(1-18-4)7(11,12)13/h1H,2H2,(H,14,15,16)
InChIKeyWPIQMBCZSKMWBH-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.27
Rot. Bonds2

About 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 50989389) has the molecular formula C7H4F6N2O2S and a molecular weight of 294.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID50989389
Molecular FormulaC7H4F6N2O2S
Molecular Weight294.18 g/mol
Exact Mass293.99
IUPAC Name2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(C(F)(F)F)cs1)OCC(F)(F)F
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)2-17-5(16)15-4-14-3(1-18-4)7(11,12)13/h1H,2H2,(H,14,15,16)
InChIKeyWPIQMBCZSKMWBH-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 50989389) is 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is O=C(Nc1nc(C(F)(F)F)cs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is WPIQMBCZSKMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2O2S/c8-6(9,10)2-17-5(16)15-4-14-3(1-18-4)7(11,12)13/h1H,2H2,(H,14,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 294.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 50989389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).