2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C7H13ClFNO — CID 170904367

IUPAC2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1CC2CCC(N2)C1F
InChIInChI=1S/C7H12FNO.ClH/c8-7-5-2-1-4(9-5)3-6(7)10;/h4-7,9-10H,1-3H2;1H
InChIKeySLSUHNILWOALPH-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.63
Rot. Bonds

About 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 170904367) has the molecular formula C7H13ClFNO and a molecular weight of 181.64 g/mol. Its IUPAC name is 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID170904367
Molecular FormulaC7H13ClFNO
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1CC2CCC(N2)C1F
InChIInChI=1S/C7H12FNO.ClH/c8-7-5-2-1-4(9-5)3-6(7)10;/h4-7,9-10H,1-3H2;1H
InChIKeySLSUHNILWOALPH-UHFFFAOYSA-N
XLogP0.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 170904367) is 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1CC2CCC(N2)C1F.
What is the InChIKey of 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is SLSUHNILWOALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO.ClH/c8-7-5-2-1-4(9-5)3-6(7)10;/h4-7,9-10H,1-3H2;1H.
What are the key properties of 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 181.64 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 170904367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).