(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine

C6H11FN2 — CID 123527348

IUPAC(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@@]12CC[C@]1(F)CNC2
InChIInChI=1S/C6H11FN2/c7-5-1-2-6(5,8)4-9-3-5/h9H,1-4,8H2/t5-,6+/m0/s1
InChIKeyZYTJSPWIIURZNR-NTSWFWBYSA-N
MW130.17 g/mol
LogP-0.21
Rot. Bonds

About (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine

(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 123527348) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID123527348
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@@]12CC[C@]1(F)CNC2
InChIInChI=1S/C6H11FN2/c7-5-1-2-6(5,8)4-9-3-5/h9H,1-4,8H2/t5-,6+/m0/s1
InChIKeyZYTJSPWIIURZNR-NTSWFWBYSA-N
XLogP-0.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine (CID 123527348) is (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine is N[C@@]12CC[C@]1(F)CNC2.
What is the InChIKey of (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is ZYTJSPWIIURZNR-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11FN2/c7-5-1-2-6(5,8)4-9-3-5/h9H,1-4,8H2/t5-,6+/m0/s1.
What are the key properties of (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 130.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 123527348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).