1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

C7H13ClFNO — CID 170913046

IUPAC1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FCC12CNCC(C1)OC2
InChIInChI=1S/C7H12FNO.ClH/c8-3-7-1-6(10-5-7)2-9-4-7;/h6,9H,1-5H2;1H
InChIKeyUZGARAFJVLWFPL-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.76
Rot. Bonds1

About 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 170913046) has the molecular formula C7H13ClFNO and a molecular weight of 181.64 g/mol. Its IUPAC name is 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID170913046
Molecular FormulaC7H13ClFNO
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FCC12CNCC(C1)OC2
InChIInChI=1S/C7H12FNO.ClH/c8-3-7-1-6(10-5-7)2-9-4-7;/h6,9H,1-5H2;1H
InChIKeyUZGARAFJVLWFPL-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (CID 170913046) is 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is Cl.FCC12CNCC(C1)OC2.
What is the InChIKey of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is UZGARAFJVLWFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO.ClH/c8-3-7-1-6(10-5-7)2-9-4-7;/h6,9H,1-5H2;1H.
What are the key properties of 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 181.64 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 170913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).