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

C11H18F6O4S2 — CID 141199388

IUPAC[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
SMILESCCCOC(OC(C)C)(SF)C(OC(F)F)(OC(F)(F)F)SC
InChIInChI=1S/C11H18F6O4S2/c1-5-6-18-9(23-17,19-7(2)3)10(22-4,20-8(12)13)21-11(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyCBDPZEVZZWKGTK-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.90
Rot. Bonds11

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

[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite (PubChem CID 141199388) has the molecular formula C11H18F6O4S2 and a molecular weight of 392.38 g/mol. Its IUPAC name is [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite.

Molecular Properties

Compound Name[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
PubChem CID141199388
Molecular FormulaC11H18F6O4S2
Molecular Weight392.38 g/mol
Exact Mass392.06
IUPAC Name[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
SMILESCCCOC(OC(C)C)(SF)C(OC(F)F)(OC(F)(F)F)SC
InChIInChI=1S/C11H18F6O4S2/c1-5-6-18-9(23-17,19-7(2)3)10(22-4,20-8(12)13)21-11(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyCBDPZEVZZWKGTK-UHFFFAOYSA-N
XLogP4.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
CID 141199389
2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
CID 151701925
[butan-2-yloxy-(1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-1-propoxypropan-2-yl)oxy-(2-methylpropoxy)methyl] thiohypofluorite
CID 154422207
1,1,2,4,4,4-hexafluoro-1-propoxybutane
CID 175770445
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
2-(difluoromethoxy)-2-methylbutan-1-amine
CID 65053075
propan-2-yl propyl sulfite
CID 134895903
1-(difluoromethoxy)-2-methylsulfanylethane
CID 122581351
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
2,2,3-trimethyl-1-propoxybutane-1,1-diamine
CID 19813602
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
CID 22916515
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The IUPAC name of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite (CID 141199388) is [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite.
What is the SMILES notation for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The canonical SMILES for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite is CCCOC(OC(C)C)(SF)C(OC(F)F)(OC(F)(F)F)SC.
What is the InChIKey of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
The InChIKey is CBDPZEVZZWKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O4S2/c1-5-6-18-9(23-17,19-7(2)3)10(22-4,20-8(12)13)21-11(14,15)16/h7-8H,5-6H2,1-4H3.
What are the key properties of [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite?
[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite has a molecular weight of 392.38 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite is sourced from PubChem (CID 141199388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).