3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C7H7F3N2O — CID 55254409

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESFC(F)(F)c1onc2c1CNCC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-11-2-1-5(4)12-13-6/h11H,1-3H2
InChIKeyUJSQYOODNIYCKA-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.34
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 55254409) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
PubChem CID55254409
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESFC(F)(F)c1onc2c1CNCC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-11-2-1-5(4)12-13-6/h11H,1-3H2
InChIKeyUJSQYOODNIYCKA-UHFFFAOYSA-N
XLogP1.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.34
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-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 55254409) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is FC(F)(F)c1onc2c1CNCC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is UJSQYOODNIYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-11-2-1-5(4)12-13-6/h11H,1-3H2.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 192.14 g/mol, XLogP of 1.34, 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-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 55254409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).