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

C6H7F4N3O — CID 104632911

IUPAC2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C6H7F4N3O/c7-4(8)6(9,10)5-13-12-3(14-5)1-2-11/h4H,1-2,11H2
InChIKeyDEBHBXOAQPKWJS-UHFFFAOYSA-N
MW213.13 g/mol
LogP0.93
Rot. Bonds4

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

2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 104632911) has the molecular formula C6H7F4N3O and a molecular weight of 213.13 g/mol. Its IUPAC name is 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID104632911
Molecular FormulaC6H7F4N3O
Molecular Weight213.13 g/mol
Exact Mass213.05
IUPAC Name2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C6H7F4N3O/c7-4(8)6(9,10)5-13-12-3(14-5)1-2-11/h4H,1-2,11H2
InChIKeyDEBHBXOAQPKWJS-UHFFFAOYSA-N
XLogP0.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 50.93
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-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 55264118
2-[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58687551
2-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 118570621
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069890
2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070942
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162385
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162396
N-ethyl-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62163082
N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163094

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 104632911) is 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(C(F)(F)C(F)F)o1.
What is the InChIKey of 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DEBHBXOAQPKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3O/c7-4(8)6(9,10)5-13-12-3(14-5)1-2-11/h4H,1-2,11H2.
What are the key properties of 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 213.13 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 104632911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).