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

C9H14F3NO — CID 70194959

IUPAC(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-6-1-2-7(13)4-8(14)3-6/h6-8,14H,1-5H2/t6-,7+,8?
InChIKeyXEQVGHGWROXAQM-DHBOJHSNSA-N
MW209.21 g/mol
LogP1.54
Rot. Bonds1

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

(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 70194959) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID70194959
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-6-1-2-7(13)4-8(14)3-6/h6-8,14H,1-5H2/t6-,7+,8?
InChIKeyXEQVGHGWROXAQM-DHBOJHSNSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.54
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-ol?
The IUPAC name of (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 70194959) is (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[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-ol?
The InChIKey is XEQVGHGWROXAQM-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-13-6-1-2-7(13)4-8(14)3-6/h6-8,14H,1-5H2/t6-,7+,8?.
What are the key properties of (1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.21 g/mol, XLogP of 1.54, 1 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-ol is sourced from PubChem (CID 70194959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).