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

C6H7F4N3O — CID 104632785

IUPAC1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C(F)(F)C(F)F)n1
InChIInChI=1S/C6H7F4N3O/c1-2(11)3-12-5(14-13-3)6(9,10)4(7)8/h2,4H,11H2,1H3
InChIKeyPQZPWMBKSWALIB-UHFFFAOYSA-N
MW213.13 g/mol
LogP1.45
Rot. Bonds3

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

1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104632785) has the molecular formula C6H7F4N3O and a molecular weight of 213.13 g/mol. Its IUPAC name is 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104632785
Molecular FormulaC6H7F4N3O
Molecular Weight213.13 g/mol
Exact Mass213.05
IUPAC Name1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C(F)(F)C(F)F)n1
InChIInChI=1S/C6H7F4N3O/c1-2(11)3-12-5(14-13-3)6(9,10)4(7)8/h2,4H,11H2,1H3
InChIKeyPQZPWMBKSWALIB-UHFFFAOYSA-N
XLogP1.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 51.45
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-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 131086186
2,4-dimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-amine
CID 114201057
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655
3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
CID 43559931
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634696
1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 69459501
3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 79660117
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 116703304
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104632785) is 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(C(F)(F)C(F)F)n1.
What is the InChIKey of 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is PQZPWMBKSWALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3O/c1-2(11)3-12-5(14-13-3)6(9,10)4(7)8/h2,4H,11H2,1H3.
What are the key properties of 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 213.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104632785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).