6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride

C14H17ClFNO — CID 67869690

IUPAC6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride
SMILESCl.OC1CCN2CC=C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C14H16FNO.ClH/c15-11-3-1-10(2-4-11)12-5-7-16-8-6-14(17)13(12)9-16;/h1-5,13-14,17H,6-9H2;1H
InChIKeyCZDUZTOUIXAWEQ-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.33
Rot. Bonds1

About 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride

6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride (PubChem CID 67869690) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride
PubChem CID67869690
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride
SMILESCl.OC1CCN2CC=C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C14H16FNO.ClH/c15-11-3-1-10(2-4-11)12-5-7-16-8-6-14(17)13(12)9-16;/h1-5,13-14,17H,6-9H2;1H
InChIKeyCZDUZTOUIXAWEQ-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride?
The IUPAC name of 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride (CID 67869690) is 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride.
What is the SMILES notation for 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride?
The canonical SMILES for 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride is Cl.OC1CCN2CC=C(c3ccc(F)cc3)C1C2.
What is the InChIKey of 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride?
The InChIKey is CZDUZTOUIXAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO.ClH/c15-11-3-1-10(2-4-11)12-5-7-16-8-6-14(17)13(12)9-16;/h1-5,13-14,17H,6-9H2;1H.
What are the key properties of 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride?
6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-ol;hydrochloride is sourced from PubChem (CID 67869690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).