[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol

C10H16F3NO — CID 175853750

IUPAC[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESOCC1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h7-9,15H,1-6H2/t7?,8-,9+
InChIKeyAGDBOMZZKZUTDJ-CBLAIPOGSA-N
MW223.24 g/mol
LogP1.78
Rot. Bonds2

About [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol

[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 175853750) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID175853750
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESOCC1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h7-9,15H,1-6H2/t7?,8-,9+
InChIKeyAGDBOMZZKZUTDJ-CBLAIPOGSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 175853750) is [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol is OCC1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F.
What is the InChIKey of [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is AGDBOMZZKZUTDJ-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-1-2-9(14)4-7(3-8)5-15/h7-9,15H,1-6H2/t7?,8-,9+.
What are the key properties of [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 223.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 175853750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).