3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C11H16F3NO — CID 171952303

IUPAC3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=C(C(F)(F)F)C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-2-4-9(6-10)15-8/h8-9,15-16H,1-6H2
InChIKeyXBIPQIOEBXYIAL-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.14
Rot. Bonds1

About 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952303) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952303
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=C(C(F)(F)F)C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-2-4-9(6-10)15-8/h8-9,15-16H,1-6H2
InChIKeyXBIPQIOEBXYIAL-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 50990618
(1R,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 52420910
(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113066
(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
3-(3,3,3-Trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952293
9-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952304
3-(4,4,4-Trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964310
3-(3,4,4-Trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964335
3-Hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952107
3-(1-Trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952278
3-(2-Methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952472
3-But-2-en-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952497

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952303) is 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol is C=C(C(F)(F)F)C1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is XBIPQIOEBXYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-2-4-9(6-10)15-8/h8-9,15-16H,1-6H2.
What are the key properties of 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 235.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).