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

C8H11F2N3O — CID 130600727

IUPAC2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(C(F)(F)CN)n2)CC1
InChIInChI=1S/C8H11F2N3O/c1-7(2-3-7)5-12-6(14-13-5)8(9,10)4-11/h2-4,11H2,1H3
InChIKeyMRILYXSZEASELB-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.17
Rot. Bonds3

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

2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 130600727) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID130600727
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(C(F)(F)CN)n2)CC1
InChIInChI=1S/C8H11F2N3O/c1-7(2-3-7)5-12-6(14-13-5)8(9,10)4-11/h2-4,11H2,1H3
InChIKeyMRILYXSZEASELB-UHFFFAOYSA-N
XLogP1.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 130600727) is 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1(c2noc(C(F)(F)CN)n2)CC1.
What is the InChIKey of 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MRILYXSZEASELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-7(2-3-7)5-12-6(14-13-5)8(9,10)4-11/h2-4,11H2,1H3.
What are the key properties of 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 203.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 130600727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).