1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride

C6H11ClFN — CID 155819437

IUPAC1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC12CNCCC1C2
InChIInChI=1S/C6H10FN.ClH/c7-6-3-5(6)1-2-8-4-6;/h5,8H,1-4H2;1H
InChIKeyCRDSLVVMSFWORD-UHFFFAOYSA-N
MW151.61 g/mol
LogP1.13
Rot. Bonds

About 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride

1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 155819437) has the molecular formula C6H11ClFN and a molecular weight of 151.61 g/mol. Its IUPAC name is 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID155819437
Molecular FormulaC6H11ClFN
Molecular Weight151.61 g/mol
Exact Mass151.06
IUPAC Name1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC12CNCCC1C2
InChIInChI=1S/C6H10FN.ClH/c7-6-3-5(6)1-2-8-4-6;/h5,8H,1-4H2;1H
InChIKeyCRDSLVVMSFWORD-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 155819437) is 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC12CNCCC1C2.
What is the InChIKey of 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is CRDSLVVMSFWORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN.ClH/c7-6-3-5(6)1-2-8-4-6;/h5,8H,1-4H2;1H.
What are the key properties of 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 151.61 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 155819437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).