3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol

C10H14F3NO2 — CID 71427260

IUPAC3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol
SMILESOC1(C(F)(F)F)ON=C2CCCCCCC21
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(15)7-5-3-1-2-4-6-8(7)14-16-9/h7,15H,1-6H2
InChIKeyRFJGTKZLJRBQOU-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.59
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol

3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol (PubChem CID 71427260) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol
PubChem CID71427260
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol
SMILESOC1(C(F)(F)F)ON=C2CCCCCCC21
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(15)7-5-3-1-2-4-6-8(7)14-16-9/h7,15H,1-6H2
InChIKeyRFJGTKZLJRBQOU-UHFFFAOYSA-N
XLogP2.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol (CID 71427260) is 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol is OC1(C(F)(F)F)ON=C2CCCCCCC21.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol?
The InChIKey is RFJGTKZLJRBQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)9(15)7-5-3-1-2-4-6-8(7)14-16-9/h7,15H,1-6H2.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol?
3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol has a molecular weight of 237.22 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7,8,9-hexahydro-3aH-cycloocta[c][1,2]oxazol-3-ol is sourced from PubChem (CID 71427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).