[fluorosulfanyl(phenoxy)methyl] thiohypofluorite

C7H6F2OS2 — CID 90284783

IUPAC[fluorosulfanyl(phenoxy)methyl] thiohypofluorite
SMILESFSC(Oc1ccccc1)SF
InChIInChI=1S/C7H6F2OS2/c8-11-7(12-9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKeyOZWLHLVGIVWHRO-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.58
Rot. Bonds4

About [fluorosulfanyl(phenoxy)methyl] thiohypofluorite

[fluorosulfanyl(phenoxy)methyl] thiohypofluorite (PubChem CID 90284783) has the molecular formula C7H6F2OS2 and a molecular weight of 208.25 g/mol. Its IUPAC name is [fluorosulfanyl(phenoxy)methyl] thiohypofluorite.

Molecular Properties

Compound Name[fluorosulfanyl(phenoxy)methyl] thiohypofluorite
PubChem CID90284783
Molecular FormulaC7H6F2OS2
Molecular Weight208.25 g/mol
Exact Mass207.98
IUPAC Name[fluorosulfanyl(phenoxy)methyl] thiohypofluorite
SMILESFSC(Oc1ccccc1)SF
InChIInChI=1S/C7H6F2OS2/c8-11-7(12-9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKeyOZWLHLVGIVWHRO-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-fluoroethoxy]benzene
CID 175733278
difluoromethoxybenzene;ethane
CID 142246454
1-methoxyethoxybenzene
CID 18188895
1-phenoxyethanol
CID 66611531
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
1-phenoxyethanol;trihydrate
CID 175915128
2-phenoxypropanedial
CID 54237008
[iodo(phenoxy)methyl]benzene
CID 54113161
dimethyl(diphenoxy)phosphanium
CID 118068912
fluoroiodanuidyloxybenzene
CID 173419619
trihydroxy(phenoxy)phosphanium
CID 11592959
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592

Frequently Asked Questions

What is the IUPAC name of [fluorosulfanyl(phenoxy)methyl] thiohypofluorite?
The IUPAC name of [fluorosulfanyl(phenoxy)methyl] thiohypofluorite (CID 90284783) is [fluorosulfanyl(phenoxy)methyl] thiohypofluorite.
What is the SMILES notation for [fluorosulfanyl(phenoxy)methyl] thiohypofluorite?
The canonical SMILES for [fluorosulfanyl(phenoxy)methyl] thiohypofluorite is FSC(Oc1ccccc1)SF.
What is the InChIKey of [fluorosulfanyl(phenoxy)methyl] thiohypofluorite?
The InChIKey is OZWLHLVGIVWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2OS2/c8-11-7(12-9)10-6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of [fluorosulfanyl(phenoxy)methyl] thiohypofluorite?
[fluorosulfanyl(phenoxy)methyl] thiohypofluorite has a molecular weight of 208.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [fluorosulfanyl(phenoxy)methyl] thiohypofluorite is sourced from PubChem (CID 90284783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).