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

C5H5F4N3O — CID 104632907

IUPAC[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C5H5F4N3O/c6-3(7)5(8,9)4-12-11-2(1-10)13-4/h3H,1,10H2
InChIKeyISIUHIOQHSSUFV-UHFFFAOYSA-N
MW199.11 g/mol
LogP0.89
Rot. Bonds3

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

[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 104632907) has the molecular formula C5H5F4N3O and a molecular weight of 199.11 g/mol. Its IUPAC name is [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID104632907
Molecular FormulaC5H5F4N3O
Molecular Weight199.11 g/mol
Exact Mass199.04
IUPAC Name[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C5H5F4N3O/c6-3(7)5(8,9)4-12-11-2(1-10)13-4/h3H,1,10H2
InChIKeyISIUHIOQHSSUFV-UHFFFAOYSA-N
XLogP0.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
CID 104632668
N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 104632921
N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 104632969
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 130710201
2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
CID 104632661
2-(chloromethyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 23462322
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526
2-(methylsulfanylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130858001
5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296571
[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 112603839
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495563

Frequently Asked Questions

What is the IUPAC name of [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 104632907) is [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(C(F)(F)C(F)F)o1.
What is the InChIKey of [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ISIUHIOQHSSUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4N3O/c6-3(7)5(8,9)4-12-11-2(1-10)13-4/h3H,1,10H2.
What are the key properties of [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 199.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 104632907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).