(3-methyl-5-oxohexan-2-yl) thiohypofluorite

C7H13FOS — CID 174306320

IUPAC(3-methyl-5-oxohexan-2-yl) thiohypofluorite
SMILESCC(=O)CC(C)C(C)SF
InChIInChI=1S/C7H13FOS/c1-5(4-6(2)9)7(3)10-8/h5,7H,4H2,1-3H3
InChIKeyGOBPIAYTTYBZFB-UHFFFAOYSA-N
MW164.24 g/mol
LogP2.61
Rot. Bonds4

About (3-methyl-5-oxohexan-2-yl) thiohypofluorite

(3-methyl-5-oxohexan-2-yl) thiohypofluorite (PubChem CID 174306320) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is (3-methyl-5-oxohexan-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(3-methyl-5-oxohexan-2-yl) thiohypofluorite
PubChem CID174306320
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name(3-methyl-5-oxohexan-2-yl) thiohypofluorite
SMILESCC(=O)CC(C)C(C)SF
InChIInChI=1S/C7H13FOS/c1-5(4-6(2)9)7(3)10-8/h5,7H,4H2,1-3H3
InChIKeyGOBPIAYTTYBZFB-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxohexan-2-yl) thiohypofluorite?
The IUPAC name of (3-methyl-5-oxohexan-2-yl) thiohypofluorite (CID 174306320) is (3-methyl-5-oxohexan-2-yl) thiohypofluorite.
What is the SMILES notation for (3-methyl-5-oxohexan-2-yl) thiohypofluorite?
The canonical SMILES for (3-methyl-5-oxohexan-2-yl) thiohypofluorite is CC(=O)CC(C)C(C)SF.
What is the InChIKey of (3-methyl-5-oxohexan-2-yl) thiohypofluorite?
The InChIKey is GOBPIAYTTYBZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c1-5(4-6(2)9)7(3)10-8/h5,7H,4H2,1-3H3.
What are the key properties of (3-methyl-5-oxohexan-2-yl) thiohypofluorite?
(3-methyl-5-oxohexan-2-yl) thiohypofluorite has a molecular weight of 164.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxohexan-2-yl) thiohypofluorite is sourced from PubChem (CID 174306320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).