4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C11H18FNO — CID 130495037

IUPAC4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CCCF)C1C3C2
InChIInChI=1S/C11H18FNO/c12-2-1-3-13-6-8-4-7-5-9(8)10(13)11(7)14/h7-11,14H,1-6H2
InChIKeyLPLLOWDLLKIVTN-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.05
Rot. Bonds3

About 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 130495037) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID130495037
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CCCF)C1C3C2
InChIInChI=1S/C11H18FNO/c12-2-1-3-13-6-8-4-7-5-9(8)10(13)11(7)14/h7-11,14H,1-6H2
InChIKeyLPLLOWDLLKIVTN-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 130495037) is 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(CCCF)C1C3C2.
What is the InChIKey of 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is LPLLOWDLLKIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-2-1-3-13-6-8-4-7-5-9(8)10(13)11(7)14/h7-11,14H,1-6H2.
What are the key properties of 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 199.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 130495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).