(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide

C14H19F5NO9S2- — CID 140750774

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide
SMILESCC1(COC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)OC2C(=O)OCC2(C)C)COC1
InChIInChI=1S/C14H19F5NO9S2/c1-11(2)4-27-9(21)8(11)29-31(24,25)20-30(22,23)14(18,19)10(13(15,16)17)28-7-12(3)5-26-6-12/h8,10H,4-7H2,1-3H3/q-1
InChIKeyTYSRIUTZXIXZBA-UHFFFAOYSA-N
MW504.43 g/mol
LogP1.48
Rot. Bonds9

About (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide

(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide (PubChem CID 140750774) has the molecular formula C14H19F5NO9S2- and a molecular weight of 504.43 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide
PubChem CID140750774
Molecular FormulaC14H19F5NO9S2-
Molecular Weight504.43 g/mol
Exact Mass504.04
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide
SMILESCC1(COC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)OC2C(=O)OCC2(C)C)COC1
InChIInChI=1S/C14H19F5NO9S2/c1-11(2)4-27-9(21)8(11)29-31(24,25)20-30(22,23)14(18,19)10(13(15,16)17)28-7-12(3)5-26-6-12/h8,10H,4-7H2,1-3H3/q-1
InChIKeyTYSRIUTZXIXZBA-UHFFFAOYSA-N
XLogP1.48
TPSA136.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide (CID 140750774) is (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide is CC1(COC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)OC2C(=O)OCC2(C)C)COC1.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide?
The InChIKey is TYSRIUTZXIXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5NO9S2/c1-11(2)4-27-9(21)8(11)29-31(24,25)20-30(22,23)14(18,19)10(13(15,16)17)28-7-12(3)5-26-6-12/h8,10H,4-7H2,1-3H3/q-1.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide?
(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide has a molecular weight of 504.43 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonyl-[1,1,3,3,3-pentafluoro-2-[(3-methyloxetan-3-yl)methoxy]propyl]sulfonylazanide is sourced from PubChem (CID 140750774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).