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

C7H11F2N3O2 — CID 103211710

IUPAC[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(CCOCC(F)F)n1
InChIInChI=1S/C7H11F2N3O2/c8-5(9)4-13-2-1-7-11-6(3-10)12-14-7/h5H,1-4,10H2
InChIKeyITHNIXIYDOBOQC-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.35
Rot. Bonds6

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

[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 103211710) has the molecular formula C7H11F2N3O2 and a molecular weight of 207.18 g/mol. Its IUPAC name is [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID103211710
Molecular FormulaC7H11F2N3O2
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Name[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(CCOCC(F)F)n1
InChIInChI=1S/C7H11F2N3O2/c8-5(9)4-13-2-1-7-11-6(3-10)12-14-7/h5H,1-4,10H2
InChIKeyITHNIXIYDOBOQC-UHFFFAOYSA-N
XLogP0.35
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 103211710) is [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(CCOCC(F)F)n1.
What is the InChIKey of [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ITHNIXIYDOBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2/c8-5(9)4-13-2-1-7-11-6(3-10)12-14-7/h5H,1-4,10H2.
What are the key properties of [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 207.18 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 103211710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).