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

C6H5F6N3O — CID 103310907

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C6H5F6N3O/c7-5(8,9)3(6(10,11)12)4-15-14-2(1-13)16-4/h3H,1,13H2
InChIKeyONLAHKVOMXXWRD-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.74
Rot. Bonds2

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

[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 103310907) has the molecular formula C6H5F6N3O and a molecular weight of 249.11 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID103310907
Molecular FormulaC6H5F6N3O
Molecular Weight249.11 g/mol
Exact Mass249.03
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C6H5F6N3O/c7-5(8,9)3(6(10,11)12)4-15-14-2(1-13)16-4/h3H,1,13H2
InChIKeyONLAHKVOMXXWRD-UHFFFAOYSA-N
XLogP1.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 103310907) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ONLAHKVOMXXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N3O/c7-5(8,9)3(6(10,11)12)4-15-14-2(1-13)16-4/h3H,1,13H2.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 249.11 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 103310907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).