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

C10H16F3NO2 — CID 170083823

IUPAC(2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
SMILESOC[C@@H](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/t7-,8?,9?/m1/s1
InChIKeyVGBQBXCZMSDQOF-AFPNSQJFSA-N
MW239.24 g/mol
LogP1.02
Rot. Bonds3

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

(2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol (PubChem CID 170083823) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
PubChem CID170083823
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name(2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
SMILESOC[C@@H](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/t7-,8?,9?/m1/s1
InChIKeyVGBQBXCZMSDQOF-AFPNSQJFSA-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 (2R)-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

Related Compounds

[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
CID 165405634
8-(2-Fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170082067
3,3,3-Trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
CID 170082286
8-[(2S)-2-fluoro-3-methoxypropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083005
8-[(2R)-2-fluoro-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083176
(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 170083577
8-(2-Fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083755
8-[(2S)-3,3,3-trifluoro-2-(methoxymethyl)propyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083822
8-[(2R)-2-fluoro-3-methoxypropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170107635
(2S)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
CID 170107834
8-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170389928
8-[(2S)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170390481

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The IUPAC name of (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol (CID 170083823) is (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol is OC[C@@H](CN1C2CCC1COC2)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
The InChIKey is VGBQBXCZMSDQOF-AFPNSQJFSA-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/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol?
(2R)-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 (2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol is sourced from PubChem (CID 170083823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).