3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole

C5HClF6N2OS — CID 102722062

IUPAC3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole
SMILESFC(F)(F)C(Oc1nsnc1Cl)C(F)(F)F
InChIInChI=1S/C5HClF6N2OS/c6-1-2(14-16-13-1)15-3(4(7,8)9)5(10,11)12/h3H
InChIKeyOHXROOHBAGBBSC-UHFFFAOYSA-N
MW286.58 g/mol
LogP3.06
Rot. Bonds2

About 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole

3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole (PubChem CID 102722062) has the molecular formula C5HClF6N2OS and a molecular weight of 286.58 g/mol. Its IUPAC name is 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole
PubChem CID102722062
Molecular FormulaC5HClF6N2OS
Molecular Weight286.58 g/mol
Exact Mass285.94
IUPAC Name3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole
SMILESFC(F)(F)C(Oc1nsnc1Cl)C(F)(F)F
InChIInChI=1S/C5HClF6N2OS/c6-1-2(14-16-13-1)15-3(4(7,8)9)5(10,11)12/h3H
InChIKeyOHXROOHBAGBBSC-UHFFFAOYSA-N
XLogP3.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.58
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole (CID 102722062) is 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole is FC(F)(F)C(Oc1nsnc1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole?
The InChIKey is OHXROOHBAGBBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF6N2OS/c6-1-2(14-16-13-1)15-3(4(7,8)9)5(10,11)12/h3H.
What are the key properties of 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole?
3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole has a molecular weight of 286.58 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole is sourced from PubChem (CID 102722062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).