2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide

C5H7FO3S — CID 129111999

IUPAC2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
SMILESO=S1OCC2(CO1)CC2F
InChIInChI=1S/C5H7FO3S/c6-4-1-5(4)2-8-10(7)9-3-5/h4H,1-3H2
InChIKeyKLUJCRWNXXJOKH-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.34
Rot. Bonds

About 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide

2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide (PubChem CID 129111999) has the molecular formula C5H7FO3S and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide.

Molecular Properties

Compound Name2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
PubChem CID129111999
Molecular FormulaC5H7FO3S
Molecular Weight166.17 g/mol
Exact Mass166.01
IUPAC Name2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
SMILESO=S1OCC2(CO1)CC2F
InChIInChI=1S/C5H7FO3S/c6-4-1-5(4)2-8-10(7)9-3-5/h4H,1-3H2
InChIKeyKLUJCRWNXXJOKH-UHFFFAOYSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The IUPAC name of 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide (CID 129111999) is 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide.
What is the SMILES notation for 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The canonical SMILES for 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide is O=S1OCC2(CO1)CC2F.
What is the InChIKey of 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The InChIKey is KLUJCRWNXXJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3S/c6-4-1-5(4)2-8-10(7)9-3-5/h4H,1-3H2.
What are the key properties of 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide has a molecular weight of 166.17 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide is sourced from PubChem (CID 129111999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).