5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine

C9H14F4N4O2 — CID 106296572

IUPAC5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C9H14F4N4O2/c1-18-3-2-14-4-6-16-17-8(19-6)15-5-9(12,13)7(10)11/h7,14H,2-5H2,1H3,(H,15,17)
InChIKeySINNKICFJTTWQB-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.12
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106296572) has the molecular formula C9H14F4N4O2 and a molecular weight of 286.23 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106296572
Molecular FormulaC9H14F4N4O2
Molecular Weight286.23 g/mol
Exact Mass286.11
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C9H14F4N4O2/c1-18-3-2-14-4-6-16-17-8(19-6)15-5-9(12,13)7(10)11/h7,14H,2-5H2,1H3,(H,15,17)
InChIKeySINNKICFJTTWQB-UHFFFAOYSA-N
XLogP1.12
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106296572) is 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NCC(F)(F)C(F)F)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SINNKICFJTTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N4O2/c1-18-3-2-14-4-6-16-17-8(19-6)15-5-9(12,13)7(10)11/h7,14H,2-5H2,1H3,(H,15,17).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 286.23 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106296572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).