(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane

C5H8FNO — CID 176776761

IUPAC(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESF[C@@H]1C2NCCO[C@H]21
InChIInChI=1S/C5H8FNO/c6-3-4-5(3)8-2-1-7-4/h3-5,7H,1-2H2/t3-,4?,5+/m1/s1
InChIKeyROZGJZKOLASBQS-DEOSMSJNSA-N
MW117.12 g/mol
LogP-0.30
Rot. Bonds

About (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane

(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 176776761) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID176776761
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESF[C@@H]1C2NCCO[C@H]21
InChIInChI=1S/C5H8FNO/c6-3-4-5(3)8-2-1-7-4/h3-5,7H,1-2H2/t3-,4?,5+/m1/s1
InChIKeyROZGJZKOLASBQS-DEOSMSJNSA-N
XLogP-0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane (CID 176776761) is (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane is F[C@@H]1C2NCCO[C@H]21.
What is the InChIKey of (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is ROZGJZKOLASBQS-DEOSMSJNSA-N. The full InChI is InChI=1S/C5H8FNO/c6-3-4-5(3)8-2-1-7-4/h3-5,7H,1-2H2/t3-,4?,5+/m1/s1.
What are the key properties of (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 117.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176776761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).