2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol

C8H12F2N2O2 — CID 107485264

IUPAC2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccno1)CC(F)F
InChIInChI=1S/C8H12F2N2O2/c9-8(10)6-12(3-4-13)5-7-1-2-11-14-7/h1-2,8,13H,3-6H2
InChIKeyCQEAGKCYURXEAV-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.73
Rot. Bonds6

About 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol (PubChem CID 107485264) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol
PubChem CID107485264
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccno1)CC(F)F
InChIInChI=1S/C8H12F2N2O2/c9-8(10)6-12(3-4-13)5-7-1-2-11-14-7/h1-2,8,13H,3-6H2
InChIKeyCQEAGKCYURXEAV-UHFFFAOYSA-N
XLogP0.73
TPSA49.50 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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol (CID 107485264) is 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol is OCCN(Cc1ccno1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol?
The InChIKey is CQEAGKCYURXEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-8(10)6-12(3-4-13)5-7-1-2-11-14-7/h1-2,8,13H,3-6H2.
What are the key properties of 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol has a molecular weight of 206.19 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(1,2-oxazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).