2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol

C6H6F5N3OS — CID 106171882

IUPAC2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESOCC(F)(F)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H6F5N3OS/c7-5(8,2-15)1-12-4-13-3(14-16-4)6(9,10)11/h15H,1-2H2,(H,12,13,14)
InChIKeyMMMCCPYVDKVNGN-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.60
Rot. Bonds4

About 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol

2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 106171882) has the molecular formula C6H6F5N3OS and a molecular weight of 263.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID106171882
Molecular FormulaC6H6F5N3OS
Molecular Weight263.19 g/mol
Exact Mass263.02
IUPAC Name2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESOCC(F)(F)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H6F5N3OS/c7-5(8,2-15)1-12-4-13-3(14-16-4)6(9,10)11/h15H,1-2H2,(H,12,13,14)
InChIKeyMMMCCPYVDKVNGN-UHFFFAOYSA-N
XLogP1.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 106171882) is 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is OCC(F)(F)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is MMMCCPYVDKVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N3OS/c7-5(8,2-15)1-12-4-13-3(14-16-4)6(9,10)11/h15H,1-2H2,(H,12,13,14).
What are the key properties of 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 263.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 106171882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).