[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C5H7F2N3OS — CID 102630696

IUPAC[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCC(F)F)o1
InChIInChI=1S/C5H7F2N3OS/c6-3(7)2-12-5-10-9-4(1-8)11-5/h3H,1-2,8H2
InChIKeyHBZKQVWSNUHIDB-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.89
Rot. Bonds4

About [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630696) has the molecular formula C5H7F2N3OS and a molecular weight of 195.19 g/mol. Its IUPAC name is [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630696
Molecular FormulaC5H7F2N3OS
Molecular Weight195.19 g/mol
Exact Mass195.03
IUPAC Name[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCC(F)F)o1
InChIInChI=1S/C5H7F2N3OS/c6-3(7)2-12-5-10-9-4(1-8)11-5/h3H,1-2,8H2
InChIKeyHBZKQVWSNUHIDB-UHFFFAOYSA-N
XLogP0.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630696) is [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCC(F)F)o1.
What is the InChIKey of [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HBZKQVWSNUHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3OS/c6-3(7)2-12-5-10-9-4(1-8)11-5/h3H,1-2,8H2.
What are the key properties of [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 195.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).