oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane

C9H12F14O7S2 — CID 91422087

IUPACoxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESC1CO1.C1CO1.FCC(F)(F)F.FCC(F)(F)OC(F)(F)F.O=S(=O)(F)F.O=S(=O)(F)F
InChIInChI=1S/C3H2F6O.C2H2F4.2C2H4O.2F2O2S/c4-1-2(5,6)10-3(7,8)9;3-1-2(4,5)6;2*1-2-3-1;2*1-5(2,3)4/h1H2;1H2;2*1-2H2;;
InChIKeyTWCTYTJZQFXOHN-UHFFFAOYSA-N
MW562.29 g/mol
LogP3.98
Rot. Bonds2

About oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane

oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane (PubChem CID 91422087) has the molecular formula C9H12F14O7S2 and a molecular weight of 562.29 g/mol. Its IUPAC name is oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Nameoxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane
PubChem CID91422087
Molecular FormulaC9H12F14O7S2
Molecular Weight562.29 g/mol
Exact Mass561.98
IUPAC Nameoxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESC1CO1.C1CO1.FCC(F)(F)F.FCC(F)(F)OC(F)(F)F.O=S(=O)(F)F.O=S(=O)(F)F
InChIInChI=1S/C3H2F6O.C2H2F4.2C2H4O.2F2O2S/c4-1-2(5,6)10-3(7,8)9;3-1-2(4,5)6;2*1-2-3-1;2*1-5(2,3)4/h1H2;1H2;2*1-2H2;;
InChIKeyTWCTYTJZQFXOHN-UHFFFAOYSA-N
XLogP3.98
TPSA102.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxirane;1,1,1,2-tetrafluoroethane
CID 121447840
fluoroethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,2,2,3-pentafluoro-1-(1,1,2-trifluoroethoxy)propane;hexakis(sulfuryl difluoride);bis(1,1,2,2-tetrafluoro-1,2-bis(1,1,2-trifluoroethoxy)ethane);1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 161264140
1,1,1,2-tetrafluoroethane;1,1,2-trifluoroethyl hypofluorite;2,2,2-trifluoroethyl hypofluorite
CID 123313206
1,1,1,2-tetrafluoroethane;hydrate
CID 87179187
2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride
CID 58201881
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane;1,1,1,3,3-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane;tetrakis(sulfuryl difluoride);1,1,2-trifluoroethyl hypofluorite;1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane;2,3,3-trifluoro-3-(1,1,2-trifluoroethoxy)prop-1-ene
CID 157479016
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane
CID 91413545
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030
1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
CID 54257019
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
[2-fluoro-1-hydroxy-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 174345703

Frequently Asked Questions

What is the IUPAC name of oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The IUPAC name of oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane (CID 91422087) is oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The canonical SMILES for oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane is C1CO1.C1CO1.FCC(F)(F)F.FCC(F)(F)OC(F)(F)F.O=S(=O)(F)F.O=S(=O)(F)F.
What is the InChIKey of oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The InChIKey is TWCTYTJZQFXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.C2H2F4.2C2H4O.2F2O2S/c4-1-2(5,6)10-3(7,8)9;3-1-2(4,5)6;2*1-2-3-1;2*1-5(2,3)4/h1H2;1H2;2*1-2H2;;.
What are the key properties of oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane has a molecular weight of 562.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;bis(sulfuryl difluoride);1,1,1,2-tetrafluoroethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 91422087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).