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

C6H7FO3 — CID 177433761

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

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

(1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 177433761) has the molecular formula C6H7FO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name(1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID177433761
Molecular FormulaC6H7FO3
Molecular Weight146.12 g/mol
Exact Mass146.04
IUPAC Name(1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESO=C1C(F)C[C@H]2CO[C@@H]1O2
InChIInChI=1S/C6H7FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h3-4,6H,1-2H2/t3-,4?,6+/m0/s1
InChIKeyYUPLRXWPXDXWID-QERKPNDOSA-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

(1S,5R)-6,8-dioxabicyclo(3.2.1)octan-4-one
CID 10975499
6,8-Dioxabicyclo[3.2.1]octan-4-one
CID 12896875
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,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 131856065
(1S,3R,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 177545858
(1S,3R,5R)-3-(trifluoromethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 177545860
(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)-7,8-dioxabicyclo[3.2.1]octan-2-one
CID 16762483
(1R,5S)-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 70006510
(1R)-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 138713344

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 177433761) is (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one is O=C1C(F)C[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is YUPLRXWPXDXWID-QERKPNDOSA-N. The full InChI is InChI=1S/C6H7FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h3-4,6H,1-2H2/t3-,4?,6+/m0/s1.
What are the key properties of (1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one?
(1S,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-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,5R)-3-fluoro-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 177433761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).