3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol

C10H16F3NO2 — CID 170082286

IUPAC3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
SMILESOCC(CN1C2CCC1COC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7(4-15)3-14-8-1-2-9(14)6-16-5-8/h7-9,15H,1-6H2
InChIKeyVGBQBXCZMSDQOF-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.02
Rot. Bonds3

About 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol

3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol (PubChem CID 170082286) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
PubChem CID170082286
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
SMILESOCC(CN1C2CCC1COC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7(4-15)3-14-8-1-2-9(14)6-16-5-8/h7-9,15H,1-6H2
InChIKeyVGBQBXCZMSDQOF-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol (CID 170082286) is 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol is OCC(CN1C2CCC1COC2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The InChIKey is VGBQBXCZMSDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7(4-15)3-14-8-1-2-9(14)6-16-5-8/h7-9,15H,1-6H2.
What are the key properties of 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol has a molecular weight of 239.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol is sourced from PubChem (CID 170082286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).