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

C7H8F5N3OS — CID 107484087

IUPAC2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H8F5N3OS/c8-4(9)3-15(1-2-16)6-13-5(14-17-6)7(10,11)12/h4,16H,1-3H2
InChIKeyUPCLIHRMJWLYDA-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.62
Rot. Bonds5

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

2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107484087) has the molecular formula C7H8F5N3OS and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107484087
Molecular FormulaC7H8F5N3OS
Molecular Weight277.22 g/mol
Exact Mass277.03
IUPAC Name2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H8F5N3OS/c8-4(9)3-15(1-2-16)6-13-5(14-17-6)7(10,11)12/h4,16H,1-3H2
InChIKeyUPCLIHRMJWLYDA-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107484087) is 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OCCN(CC(F)F)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is UPCLIHRMJWLYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N3OS/c8-4(9)3-15(1-2-16)6-13-5(14-17-6)7(10,11)12/h4,16H,1-3H2.
What are the key properties of 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 277.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107484087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).