2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C10H14F3NO3 — CID 63932703

IUPAC2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-17-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2
InChIKeyMBTIDIKGIJPCON-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.67
Rot. Bonds1

About 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 63932703) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID63932703
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-17-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2
InChIKeyMBTIDIKGIJPCON-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 63932703) is 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is MBTIDIKGIJPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-17-9(16)14-6-1-2-7(14)4-8(15)3-6/h6-8,15H,1-5H2.
What are the key properties of 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 253.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 63932703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).