(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one

C6H8FNO — CID 10103196

IUPAC(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1N[C@@H]2C[C@H]1C[C@H]2F
InChIInChI=1S/C6H8FNO/c7-4-1-3-2-5(4)8-6(3)9/h3-5H,1-2H2,(H,8,9)/t3-,4-,5-/m1/s1
InChIKeyOHRAQPFBXDITGO-UOWFLXDJSA-N
MW129.13 g/mol
LogP0.23
Rot. Bonds

About (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one

(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 10103196) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID10103196
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1N[C@@H]2C[C@H]1C[C@H]2F
InChIInChI=1S/C6H8FNO/c7-4-1-3-2-5(4)8-6(3)9/h3-5H,1-2H2,(H,8,9)/t3-,4-,5-/m1/s1
InChIKeyOHRAQPFBXDITGO-UOWFLXDJSA-N
XLogP0.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one (CID 10103196) is (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one is O=C1N[C@@H]2C[C@H]1C[C@H]2F.
What is the InChIKey of (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is OHRAQPFBXDITGO-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H8FNO/c7-4-1-3-2-5(4)8-6(3)9/h3-5H,1-2H2,(H,8,9)/t3-,4-,5-/m1/s1.
What are the key properties of (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one?
(1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 129.13 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 10103196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).