3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide

C11H18F3N3O — CID 103370748

IUPAC3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)9(10(15)16)5-17-6-1-2-7(17)4-8(18)3-6/h6-9,18H,1-5H2,(H3,15,16)
InChIKeyZSIFZRURBAUMOZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.09
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide (PubChem CID 103370748) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
PubChem CID103370748
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)9(10(15)16)5-17-6-1-2-7(17)4-8(18)3-6/h6-9,18H,1-5H2,(H3,15,16)
InChIKeyZSIFZRURBAUMOZ-UHFFFAOYSA-N
XLogP1.09
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide (CID 103370748) is 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide?
The InChIKey is ZSIFZRURBAUMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)9(10(15)16)5-17-6-1-2-7(17)4-8(18)3-6/h6-9,18H,1-5H2,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide has a molecular weight of 265.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide is sourced from PubChem (CID 103370748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).