7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C14H18FNO2 — CID 171959249

IUPAC7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccc(F)cc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C14H18FNO2/c1-9-2-3-10(15)4-13(9)14(17)5-11-7-18-8-12(6-14)16-11/h2-4,11-12,16-17H,5-8H2,1H3
InChIKeyKOPWVHUQDYIZEG-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.47
Rot. Bonds1

About 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171959249) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171959249
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccc(F)cc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C14H18FNO2/c1-9-2-3-10(15)4-13(9)14(17)5-11-7-18-8-12(6-14)16-11/h2-4,11-12,16-17H,5-8H2,1H3
InChIKeyKOPWVHUQDYIZEG-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171959249) is 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1ccc(F)cc1C1(O)CC2COCC(C1)N2.
What is the InChIKey of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is KOPWVHUQDYIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-2-3-10(15)4-13(9)14(17)5-11-7-18-8-12(6-14)16-11/h2-4,11-12,16-17H,5-8H2,1H3.
What are the key properties of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 251.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171959249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).