3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol

C10H16F3NO — CID 123245921

IUPAC3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1C2CCCC1CC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15)6-14-7-2-1-3-8(14)5-4-7/h7-9,15H,1-6H2
InChIKeyMSWQLJZIZZJUQJ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds2

About 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol

3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 123245921) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID123245921
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1C2CCCC1CC2)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(15)6-14-7-2-1-3-8(14)5-4-7/h7-9,15H,1-6H2
InChIKeyMSWQLJZIZZJUQJ-UHFFFAOYSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol (CID 123245921) is 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1C2CCCC1CC2)C(F)(F)F.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MSWQLJZIZZJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)9(15)6-14-7-2-1-3-8(14)5-4-7/h7-9,15H,1-6H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol?
3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 223.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-8-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 123245921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).