[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite

C8H12F6O3S2 — CID 141199389

IUPAC[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
SMILESCSC(OC(F)F)(OC(F)(F)F)C(OC(C)C)SF
InChIInChI=1S/C8H12F6O3S2/c1-4(2)15-5(19-14)7(18-3,16-6(9)10)17-8(11,12)13/h4-6H,1-3H3
InChIKeySOWVPXKAJIPMJZ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.15
Rot. Bonds8

About [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite

[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite (PubChem CID 141199389) has the molecular formula C8H12F6O3S2 and a molecular weight of 334.30 g/mol. Its IUPAC name is [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite.

Molecular Properties

Compound Name[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
PubChem CID141199389
Molecular FormulaC8H12F6O3S2
Molecular Weight334.30 g/mol
Exact Mass334.01
IUPAC Name[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
SMILESCSC(OC(F)F)(OC(F)(F)F)C(OC(C)C)SF
InChIInChI=1S/C8H12F6O3S2/c1-4(2)15-5(19-14)7(18-3,16-6(9)10)17-8(11,12)13/h4-6H,1-3H3
InChIKeySOWVPXKAJIPMJZ-UHFFFAOYSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The IUPAC name of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite (CID 141199389) is [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite.
What is the SMILES notation for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The canonical SMILES for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite is CSC(OC(F)F)(OC(F)(F)F)C(OC(C)C)SF.
What is the InChIKey of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The InChIKey is SOWVPXKAJIPMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O3S2/c1-4(2)15-5(19-14)7(18-3,16-6(9)10)17-8(11,12)13/h4-6H,1-3H3.
What are the key properties of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite has a molecular weight of 334.30 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite is sourced from PubChem (CID 141199389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).