1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride

C6H11ClFN — CID 122164127

IUPAC1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESCl.FCC12CC(CN1)C2
InChIInChI=1S/C6H10FN.ClH/c7-4-6-1-5(2-6)3-8-6;/h5,8H,1-4H2;1H
InChIKeyQUGRCPNALUPMMW-UHFFFAOYSA-N
MW151.61 g/mol
LogP1.13
Rot. Bonds1

About 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride

1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride (PubChem CID 122164127) has the molecular formula C6H11ClFN and a molecular weight of 151.61 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride.

Molecular Properties

Compound Name1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride
PubChem CID122164127
Molecular FormulaC6H11ClFN
Molecular Weight151.61 g/mol
Exact Mass151.06
IUPAC Name1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESCl.FCC12CC(CN1)C2
InChIInChI=1S/C6H10FN.ClH/c7-4-6-1-5(2-6)3-8-6;/h5,8H,1-4H2;1H
InChIKeyQUGRCPNALUPMMW-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.61
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride?
The IUPAC name of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride (CID 122164127) is 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride.
What is the SMILES notation for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride?
The canonical SMILES for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride is Cl.FCC12CC(CN1)C2.
What is the InChIKey of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride?
The InChIKey is QUGRCPNALUPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN.ClH/c7-4-6-1-5(2-6)3-8-6;/h5,8H,1-4H2;1H.
What are the key properties of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride?
1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride has a molecular weight of 151.61 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane;hydrochloride is sourced from PubChem (CID 122164127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).