(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine

C6H11FN2 — CID 91483246

IUPAC(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@@H]1[C@H](F)C2
InChIInChI=1S/C6H11FN2/c7-5-1-6(8)3-9-2-4(5)6/h4-5,9H,1-3,8H2/t4-,5-,6-/m1/s1
InChIKeyWGWGACZAOBPUTH-HSUXUTPPSA-N
MW130.17 g/mol
LogP-0.35
Rot. Bonds

About (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 91483246) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID91483246
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@@H]1[C@H](F)C2
InChIInChI=1S/C6H11FN2/c7-5-1-6(8)3-9-2-4(5)6/h4-5,9H,1-3,8H2/t4-,5-,6-/m1/s1
InChIKeyWGWGACZAOBPUTH-HSUXUTPPSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine (CID 91483246) is (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine is N[C@]12CNC[C@@H]1[C@H](F)C2.
What is the InChIKey of (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is WGWGACZAOBPUTH-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11FN2/c7-5-1-6(8)3-9-2-4(5)6/h4-5,9H,1-3,8H2/t4-,5-,6-/m1/s1.
What are the key properties of (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 130.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 91483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).