(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

C8H12F3NO — CID 98113051

IUPAC(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2/t5-,6-/m0/s1
InChIKeyRZACNMVDSIXILK-WDSKDSINSA-N
MW195.18 g/mol
LogP1.19
Rot. Bonds

About (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 98113051) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID98113051
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2/t5-,6-/m0/s1
InChIKeyRZACNMVDSIXILK-WDSKDSINSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733
1-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 67607196
1-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 67607197
(1R,5R)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113052
(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 162614406
3-Methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 171568881
(1S,5R)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;2,2,2-trifluoroacetic acid
CID 173761564
3-(1,1-Difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
CID 58123631

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 98113051) is (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C(F)(F)F)C[C@@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RZACNMVDSIXILK-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 98113051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).