3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C8H13ClF3NO — CID 68756484

IUPAC3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5;/h5-6,12-13H,1-4H2;1H
InChIKeyNFENMLACPWMHEQ-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.62
Rot. Bonds

About 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 68756484) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID68756484
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5;/h5-6,12-13H,1-4H2;1H
InChIKeyNFENMLACPWMHEQ-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64566988

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 68756484) is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1(C(F)(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is NFENMLACPWMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5;/h5-6,12-13H,1-4H2;1H.
What are the key properties of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 231.64 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 68756484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).