(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane

C6H7FO3 — CID 56934244

IUPAC(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane
SMILESF[C@@H]1O[C@@H]2CO[C@H]1[C@@H]1O[C@@H]12
InChIInChI=1S/C6H7FO3/c7-6-5-4-3(10-4)2(9-6)1-8-5/h2-6H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChIKeyYFXUHMPAOBGNQT-DGPNFKTASA-N
MW146.12 g/mol
LogP-0.15
Rot. Bonds

About (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane

(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane (PubChem CID 56934244) has the molecular formula C6H7FO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane.

Molecular Properties

Compound Name(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane
PubChem CID56934244
Molecular FormulaC6H7FO3
Molecular Weight146.12 g/mol
Exact Mass146.04
IUPAC Name(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane
SMILESF[C@@H]1O[C@@H]2CO[C@H]1[C@@H]1O[C@@H]12
InChIInChI=1S/C6H7FO3/c7-6-5-4-3(10-4)2(9-6)1-8-5/h2-6H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChIKeyYFXUHMPAOBGNQT-DGPNFKTASA-N
XLogP-0.15
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane?
The IUPAC name of (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane (CID 56934244) is (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane.
What is the SMILES notation for (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane?
The canonical SMILES for (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane is F[C@@H]1O[C@@H]2CO[C@H]1[C@@H]1O[C@@H]12.
What is the InChIKey of (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane?
The InChIKey is YFXUHMPAOBGNQT-DGPNFKTASA-N. The full InChI is InChI=1S/C6H7FO3/c7-6-5-4-3(10-4)2(9-6)1-8-5/h2-6H,1H2/t2-,3-,4-,5+,6-/m1/s1.
What are the key properties of (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane?
(1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane has a molecular weight of 146.12 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R,7S)-7-fluoro-3,6,8-trioxatricyclo[3.2.2.02,4]nonane is sourced from PubChem (CID 56934244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).