1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C17H13F3N2O3 — CID 67383653

IUPAC1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1ccccc1Oc1cccc(OCC(F)(F)F)c12
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)9-23-12-6-3-7-13-14(12)16(8-24-15(21)22-16)10-4-1-2-5-11(10)25-13/h1-7H,8-9H2,(H2,21,22)
InChIKeyWSRFIZQHWHKENQ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.32
Rot. Bonds2

About 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67383653) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67383653
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1ccccc1Oc1cccc(OCC(F)(F)F)c12
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)9-23-12-6-3-7-13-14(12)16(8-24-15(21)22-16)10-4-1-2-5-11(10)25-13/h1-7H,8-9H2,(H2,21,22)
InChIKeyWSRFIZQHWHKENQ-UHFFFAOYSA-N
XLogP3.32
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67383653) is 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=NC2(CO1)c1ccccc1Oc1cccc(OCC(F)(F)F)c12.
What is the InChIKey of 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is WSRFIZQHWHKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)9-23-12-6-3-7-13-14(12)16(8-24-15(21)22-16)10-4-1-2-5-11(10)25-13/h1-7H,8-9H2,(H2,21,22).
What are the key properties of 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 350.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67383653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).