(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane

C6H10FNO — CID 177267500

IUPAC(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane
SMILESF[C@@H]1C2COCCN[C@@H]21
InChIInChI=1S/C6H10FNO/c7-5-4-3-9-2-1-8-6(4)5/h4-6,8H,1-3H2/t4?,5-,6+/m1/s1
InChIKeyOCENEDZOMLXULJ-UVCATTPVSA-N
MW131.15 g/mol
LogP-0.06
Rot. Bonds

About (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane

(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane (PubChem CID 177267500) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Name(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane
PubChem CID177267500
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane
SMILESF[C@@H]1C2COCCN[C@@H]21
InChIInChI=1S/C6H10FNO/c7-5-4-3-9-2-1-8-6(4)5/h4-6,8H,1-3H2/t4?,5-,6+/m1/s1
InChIKeyOCENEDZOMLXULJ-UVCATTPVSA-N
XLogP-0.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane?
The IUPAC name of (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane (CID 177267500) is (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane.
What is the SMILES notation for (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane?
The canonical SMILES for (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane is F[C@@H]1C2COCCN[C@@H]21.
What is the InChIKey of (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane?
The InChIKey is OCENEDZOMLXULJ-UVCATTPVSA-N. The full InChI is InChI=1S/C6H10FNO/c7-5-4-3-9-2-1-8-6(4)5/h4-6,8H,1-3H2/t4?,5-,6+/m1/s1.
What are the key properties of (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane?
(1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane has a molecular weight of 131.15 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octane is sourced from PubChem (CID 177267500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).