2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol

C8H12F2N2O3 — CID 107484648

IUPAC2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc(CO)co1
InChIInChI=1S/C8H12F2N2O3/c9-7(10)3-12(1-2-13)8-11-6(4-14)5-15-8/h5,7,13-14H,1-4H2
InChIKeyRYPBTQJCISVLCF-UHFFFAOYSA-N
MW222.19 g/mol
LogP0.23
Rot. Bonds6

About 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol

2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol (PubChem CID 107484648) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol
PubChem CID107484648
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Name2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc(CO)co1
InChIInChI=1S/C8H12F2N2O3/c9-7(10)3-12(1-2-13)8-11-6(4-14)5-15-8/h5,7,13-14H,1-4H2
InChIKeyRYPBTQJCISVLCF-UHFFFAOYSA-N
XLogP0.23
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol (CID 107484648) is 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol is OCCN(CC(F)F)c1nc(CO)co1.
What is the InChIKey of 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol?
The InChIKey is RYPBTQJCISVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c9-7(10)3-12(1-2-13)8-11-6(4-14)5-15-8/h5,7,13-14H,1-4H2.
What are the key properties of 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol?
2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol has a molecular weight of 222.19 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol is sourced from PubChem (CID 107484648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).