4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine

C6H5F6N3OS — CID 102723015

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N3OS/c7-5(8,9)4(6(10,11)12)16-1-2-3(13)17-15-14-2/h4H,1,13H2
InChIKeyLSBYJPWCOXAKHY-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.13
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine (PubChem CID 102723015) has the molecular formula C6H5F6N3OS and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine
PubChem CID102723015
Molecular FormulaC6H5F6N3OS
Molecular Weight281.18 g/mol
Exact Mass281.01
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6N3OS/c7-5(8,9)4(6(10,11)12)16-1-2-3(13)17-15-14-2/h4H,1,13H2
InChIKeyLSBYJPWCOXAKHY-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine (CID 102723015) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine is Nc1snnc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine?
The InChIKey is LSBYJPWCOXAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N3OS/c7-5(8,9)4(6(10,11)12)16-1-2-3(13)17-15-14-2/h4H,1,13H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine has a molecular weight of 281.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 102723015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).