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

C12H21F3N2O — CID 63763233

IUPAC8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-10(16)11(12(13,14)15)17-7-3-4-8(17)6-9(18)5-7/h7-11,18H,2-6,16H2,1H3
InChIKeyMEYRUIDADUVZJC-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds3

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

8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763233) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763233
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-2-10(16)11(12(13,14)15)17-7-3-4-8(17)6-9(18)5-7/h7-11,18H,2-6,16H2,1H3
InChIKeyMEYRUIDADUVZJC-UHFFFAOYSA-N
XLogP1.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763233) is 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is CCC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MEYRUIDADUVZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-10(16)11(12(13,14)15)17-7-3-4-8(17)6-9(18)5-7/h7-11,18H,2-6,16H2,1H3.
What are the key properties of 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).