8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C10H16F3NOS — CID 116617471

IUPAC8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCSC(F)(F)F
InChIInChI=1S/C10H16F3NOS/c11-10(12,13)16-4-3-14-7-1-2-8(14)6-9(15)5-7/h7-9,15H,1-6H2
InChIKeyLCRXMYGBMIDXOQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.23
Rot. Bonds3

About 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 116617471) has the molecular formula C10H16F3NOS and a molecular weight of 255.30 g/mol. Its IUPAC name is 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID116617471
Molecular FormulaC10H16F3NOS
Molecular Weight255.30 g/mol
Exact Mass255.09
IUPAC Name8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCSC(F)(F)F
InChIInChI=1S/C10H16F3NOS/c11-10(12,13)16-4-3-14-7-1-2-8(14)6-9(15)5-7/h7-9,15H,1-6H2
InChIKeyLCRXMYGBMIDXOQ-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70194959
CID 155188246
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CID 63769417
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CID 64564915
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CID 83059094
CID 83059094
CID 113569126
CID 113569126
CID 115518092
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CID 116617454
CID 116617454

Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 116617471) is 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCSC(F)(F)F.
What is the InChIKey of 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LCRXMYGBMIDXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NOS/c11-10(12,13)16-4-3-14-7-1-2-8(14)6-9(15)5-7/h7-9,15H,1-6H2.
What are the key properties of 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 255.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 116617471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).