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

C8H12F2N2O2 — CID 103213144

IUPAC[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCOCC(F)F)o1
InChIInChI=1S/C8H12F2N2O2/c9-7(10)5-13-2-1-6-4-12-8(3-11)14-6/h4,7H,1-3,5,11H2
InChIKeyOYARFZISJGMNQN-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.96
Rot. Bonds6

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

[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 103213144) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine
PubChem CID103213144
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCOCC(F)F)o1
InChIInChI=1S/C8H12F2N2O2/c9-7(10)5-13-2-1-6-4-12-8(3-11)14-6/h4,7H,1-3,5,11H2
InChIKeyOYARFZISJGMNQN-UHFFFAOYSA-N
XLogP0.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine (CID 103213144) is [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine is NCc1ncc(CCOCC(F)F)o1.
What is the InChIKey of [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is OYARFZISJGMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-7(10)5-13-2-1-6-4-12-8(3-11)14-6/h4,7H,1-3,5,11H2.
What are the key properties of [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine?
[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 206.19 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 103213144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).