1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

C5H9ClFN — CID 84716181

IUPAC1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC12CNCC1C2
InChIInChI=1S/C5H8FN.ClH/c6-5-1-4(5)2-7-3-5;/h4,7H,1-3H2;1H
InChIKeyGZXJZTYONGWKFI-UHFFFAOYSA-N
MW137.58 g/mol
LogP0.74
Rot. Bonds

About 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 84716181) has the molecular formula C5H9ClFN and a molecular weight of 137.58 g/mol. Its IUPAC name is 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID84716181
Molecular FormulaC5H9ClFN
Molecular Weight137.58 g/mol
Exact Mass137.04
IUPAC Name1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC12CNCC1C2
InChIInChI=1S/C5H8FN.ClH/c6-5-1-4(5)2-7-3-5;/h4,7H,1-3H2;1H
InChIKeyGZXJZTYONGWKFI-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.58
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-Difluoro-3-azabicyclo(3.1.0)hexane
CID 45158913
3-Azabicyclo[3.1.0]hexane hydrochloride
CID 22335289
4-(Fluoromethyl)piperidine hydrochloride
CID 23110104
6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
CID 45158912
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 47003509
3-(Fluoromethyl)piperidine hydrochloride
CID 49761297
2-Azabicyclo[3.1.0]hexane hydrochloride
CID 67358156
3-Azabicyclo(3.1.0)hexane
CID 13150523
2-Azabicyclo[3.1.0]hexane
CID 17783223
(1r,5s,6s)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 47003426

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 84716181) is 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC12CNCC1C2.
What is the InChIKey of 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is GZXJZTYONGWKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN.ClH/c6-5-1-4(5)2-7-3-5;/h4,7H,1-3H2;1H.
What are the key properties of 1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-fluoro-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 137.58 g/mol, XLogP of 0.74, 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[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 84716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).