3-oxohexan-2-yl thiohypofluorite

C6H11FOS — CID 155274985

IUPAC3-oxohexan-2-yl thiohypofluorite
SMILESCCCC(=O)C(C)SF
InChIInChI=1S/C6H11FOS/c1-3-4-6(8)5(2)9-7/h5H,3-4H2,1-2H3
InChIKeyIEQDNMXYSJPGJG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.36
Rot. Bonds4

About 3-oxohexan-2-yl thiohypofluorite

3-oxohexan-2-yl thiohypofluorite (PubChem CID 155274985) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-oxohexan-2-yl thiohypofluorite.

Molecular Properties

Compound Name3-oxohexan-2-yl thiohypofluorite
PubChem CID155274985
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name3-oxohexan-2-yl thiohypofluorite
SMILESCCCC(=O)C(C)SF
InChIInChI=1S/C6H11FOS/c1-3-4-6(8)5(2)9-7/h5H,3-4H2,1-2H3
InChIKeyIEQDNMXYSJPGJG-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxohexan-2-yl thiohypofluorite?
The IUPAC name of 3-oxohexan-2-yl thiohypofluorite (CID 155274985) is 3-oxohexan-2-yl thiohypofluorite.
What is the SMILES notation for 3-oxohexan-2-yl thiohypofluorite?
The canonical SMILES for 3-oxohexan-2-yl thiohypofluorite is CCCC(=O)C(C)SF.
What is the InChIKey of 3-oxohexan-2-yl thiohypofluorite?
The InChIKey is IEQDNMXYSJPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FOS/c1-3-4-6(8)5(2)9-7/h5H,3-4H2,1-2H3.
What are the key properties of 3-oxohexan-2-yl thiohypofluorite?
3-oxohexan-2-yl thiohypofluorite has a molecular weight of 150.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxohexan-2-yl thiohypofluorite is sourced from PubChem (CID 155274985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).