3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H18F3NO — CID 115515305

IUPAC3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCC(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-8-2-3-9(7-10)15-8/h8-9,15-16H,1-7H2
InChIKeyOEYNKBBTRQJFPY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.36
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115515305) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115515305
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCCC(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-8-2-3-9(7-10)15-8/h8-9,15-16H,1-7H2
InChIKeyOEYNKBBTRQJFPY-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4,4,4-trifluorobutyl)-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
10-(Trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
CID 50990611

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 115515305) is 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCCC(F)(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OEYNKBBTRQJFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-8-2-3-9(7-10)15-8/h8-9,15-16H,1-7H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115515305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).