(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane

C7H12FNO — CID 175844465

IUPAC(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESF[C@H]1CC[C@H]2COC[C@@H]1N2
InChIInChI=1S/C7H12FNO/c8-6-2-1-5-3-10-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7-/m0/s1
InChIKeyTYHYHPUDGFYJQJ-ACZMJKKPSA-N
MW145.18 g/mol
LogP0.48
Rot. Bonds

About (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane

(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 175844465) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID175844465
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESF[C@H]1CC[C@H]2COC[C@@H]1N2
InChIInChI=1S/C7H12FNO/c8-6-2-1-5-3-10-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7-/m0/s1
InChIKeyTYHYHPUDGFYJQJ-ACZMJKKPSA-N
XLogP0.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane (CID 175844465) is (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane is F[C@H]1CC[C@H]2COC[C@@H]1N2.
What is the InChIKey of (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is TYHYHPUDGFYJQJ-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H12FNO/c8-6-2-1-5-3-10-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7-/m0/s1.
What are the key properties of (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane?
(1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 145.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 175844465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).