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

C11H19F3N2O — CID 63899459

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC(O)C(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H19F3N2O/c1-16(6-10(17)11(12,13)14)9-4-7-2-3-8(5-9)15-7/h7-10,15,17H,2-6H2,1H3
InChIKeyKVUROOPDJGMHAQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.12
Rot. Bonds3

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

3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899459) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899459
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC(O)C(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H19F3N2O/c1-16(6-10(17)11(12,13)14)9-4-7-2-3-8(5-9)15-7/h7-10,15,17H,2-6H2,1H3
InChIKeyKVUROOPDJGMHAQ-UHFFFAOYSA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63899459) is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(CC(O)C(F)(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KVUROOPDJGMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-16(6-10(17)11(12,13)14)9-4-7-2-3-8(5-9)15-7/h7-10,15,17H,2-6H2,1H3.
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 252.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).