(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one

C6H7FO3 — CID 131856065

IUPAC(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CO[C@H](O2)[C@@H]1F
InChIInChI=1S/C6H7FO3/c7-5-4(8)1-3-2-9-6(5)10-3/h3,5-6H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyUXBIDQCIYRTXJZ-OTWZMJIISA-N
MW146.12 g/mol
LogP0.04
Rot. Bonds

About (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one

(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one (PubChem CID 131856065) has the molecular formula C6H7FO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
PubChem CID131856065
Molecular FormulaC6H7FO3
Molecular Weight146.12 g/mol
Exact Mass146.04
IUPAC Name(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CO[C@H](O2)[C@@H]1F
InChIInChI=1S/C6H7FO3/c7-5-4(8)1-3-2-9-6(5)10-3/h3,5-6H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyUXBIDQCIYRTXJZ-OTWZMJIISA-N
XLogP0.04
TPSA35.53 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 ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-Dioxabicyclo[3.2.1]octan-2-one
CID 12896877
4-Fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 21732403
(1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 177433761
(1S,3R,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 177545858
[1R,5S]6,8-Dioxabicyclo[3.2.1]octan-3-one
CID 10486868
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 10772992
6,8-Dioxabicyclo[3.2.1]octan-3-one
CID 12896872
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 12896878
(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 12896880
(1R,5S)-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 70006510
(1S)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 158441909
(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 12896874

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one (CID 131856065) is (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one is O=C1C[C@H]2CO[C@H](O2)[C@@H]1F.
What is the InChIKey of (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one?
The InChIKey is UXBIDQCIYRTXJZ-OTWZMJIISA-N. The full InChI is InChI=1S/C6H7FO3/c7-5-4(8)1-3-2-9-6(5)10-3/h3,5-6H,1-2H2/t3-,5+,6+/m0/s1.
What are the key properties of (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one?
(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one has a molecular weight of 146.12 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 131856065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).