(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

C9H14F3NO — CID 162614406

IUPAC(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H]1CC2C[C@@](O)(C(F)(F)F)C[C@@H]1N2
InChIInChI=1S/C9H14F3NO/c1-5-2-6-3-8(14,9(10,11)12)4-7(5)13-6/h5-7,13-14H,2-4H2,1H3/t5-,6?,7-,8-/m0/s1
InChIKeyDDHMWTURLZFAJS-BHQGJQQGSA-N
MW209.21 g/mol
LogP1.44
Rot. Bonds

About (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 162614406) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID162614406
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H]1CC2C[C@@](O)(C(F)(F)F)C[C@@H]1N2
InChIInChI=1S/C9H14F3NO/c1-5-2-6-3-8(14,9(10,11)12)4-7(5)13-6/h5-7,13-14H,2-4H2,1H3/t5-,6?,7-,8-/m0/s1
InChIKeyDDHMWTURLZFAJS-BHQGJQQGSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5S,6S)-6-methyl-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
2-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 76223930
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
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 (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 162614406) is (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is C[C@H]1CC2C[C@@](O)(C(F)(F)F)C[C@@H]1N2.
What is the InChIKey of (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DDHMWTURLZFAJS-BHQGJQQGSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-5-2-6-3-8(14,9(10,11)12)4-7(5)13-6/h5-7,13-14H,2-4H2,1H3/t5-,6?,7-,8-/m0/s1.
What are the key properties of (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 162614406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).