3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol

C6H7F3N2O2 — CID 82399886

IUPAC3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol
SMILESNC(c1ccno1)C(O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5(12)4(10)3-1-2-11-13-3/h1-2,4-5,12H,10H2
InChIKeyWPMKAVFVAJHVDI-UHFFFAOYSA-N
MW196.13 g/mol
LogP0.60
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol

3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol (PubChem CID 82399886) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol
PubChem CID82399886
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol
SMILESNC(c1ccno1)C(O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5(12)4(10)3-1-2-11-13-3/h1-2,4-5,12H,10H2
InChIKeyWPMKAVFVAJHVDI-UHFFFAOYSA-N
XLogP0.60
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol (CID 82399886) is 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol is NC(c1ccno1)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol?
The InChIKey is WPMKAVFVAJHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)5(12)4(10)3-1-2-11-13-3/h1-2,4-5,12H,10H2.
What are the key properties of 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol has a molecular weight of 196.13 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-3-(1,2-oxazol-5-yl)propan-2-ol is sourced from PubChem (CID 82399886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).