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

C7H9F3N2O2 — CID 138039679

IUPAC3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol
SMILESCc1cnc(C(O)(CN)C(F)(F)F)o1
InChIInChI=1S/C7H9F3N2O2/c1-4-2-12-5(14-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyVONLVZZSQJSMAO-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.69
Rot. Bonds2

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

3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol (PubChem CID 138039679) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol
PubChem CID138039679
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol
SMILESCc1cnc(C(O)(CN)C(F)(F)F)o1
InChIInChI=1S/C7H9F3N2O2/c1-4-2-12-5(14-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyVONLVZZSQJSMAO-UHFFFAOYSA-N
XLogP0.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.69
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-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol (CID 138039679) is 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol is Cc1cnc(C(O)(CN)C(F)(F)F)o1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol?
The InChIKey is VONLVZZSQJSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-4-2-12-5(14-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol has a molecular weight of 210.15 g/mol, XLogP of 0.69, 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-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol is sourced from PubChem (CID 138039679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).