2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol

C7H7F6N3OS — CID 107484390

IUPAC2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H7F6N3OS/c8-6(9,10)3-16(1-2-17)5-14-4(15-18-5)7(11,12)13/h17H,1-3H2
InChIKeyZITFTQRSKFXJPJ-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.92
Rot. Bonds4

About 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol

2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107484390) has the molecular formula C7H7F6N3OS and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107484390
Molecular FormulaC7H7F6N3OS
Molecular Weight295.21 g/mol
Exact Mass295.02
IUPAC Name2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H7F6N3OS/c8-6(9,10)3-16(1-2-17)5-14-4(15-18-5)7(11,12)13/h17H,1-3H2
InChIKeyZITFTQRSKFXJPJ-UHFFFAOYSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107484390) is 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OCCN(CC(F)(F)F)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is ZITFTQRSKFXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N3OS/c8-6(9,10)3-16(1-2-17)5-14-4(15-18-5)7(11,12)13/h17H,1-3H2.
What are the key properties of 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 295.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107484390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).