3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol

C8H10F3NO2 — CID 2760748

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol
SMILESOC1(C(F)(F)F)ON=C2CCCCC21
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12-14-7/h5,13H,1-4H2
InChIKeyJQNKEFXTOKUFER-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.81
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol

3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol (PubChem CID 2760748) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol
PubChem CID2760748
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol
SMILESOC1(C(F)(F)F)ON=C2CCCCC21
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12-14-7/h5,13H,1-4H2
InChIKeyJQNKEFXTOKUFER-UHFFFAOYSA-N
XLogP1.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol (CID 2760748) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol is OC1(C(F)(F)F)ON=C2CCCCC21.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol?
The InChIKey is JQNKEFXTOKUFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12-14-7/h5,13H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol has a molecular weight of 209.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-ol is sourced from PubChem (CID 2760748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).