[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol

C10H16F3NO — CID 141001386

IUPAC[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol
SMILESOCC12CCCC(CC1)N2CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-2-1-4-9(14,7-15)5-3-8/h8,15H,1-7H2
InChIKeySGYJLUQOTRANGO-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds2

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

[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol (PubChem CID 141001386) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol.

Molecular Properties

Compound Name[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol
PubChem CID141001386
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol
SMILESOCC12CCCC(CC1)N2CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-2-1-4-9(14,7-15)5-3-8/h8,15H,1-7H2
InChIKeySGYJLUQOTRANGO-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 [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol?
The IUPAC name of [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol (CID 141001386) is [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol.
What is the SMILES notation for [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol?
The canonical SMILES for [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol is OCC12CCCC(CC1)N2CC(F)(F)F.
What is the InChIKey of [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol?
The InChIKey is SGYJLUQOTRANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)6-14-8-2-1-4-9(14,7-15)5-3-8/h8,15H,1-7H2.
What are the key properties of [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol?
[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol 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 [8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-1-yl]methanol is sourced from PubChem (CID 141001386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).