methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite

C7H3F11O3S — CID 87155304

IUPACmethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
SMILESCOS(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O3S/c1-20-22(19)21-7(18)5(14,15)3(10,11)2(8,9)4(12,13)6(7,16)17/h1H3
InChIKeyOLCIPJDGGCYONJ-UHFFFAOYSA-N
MW376.14 g/mol
LogP3.08
Rot. Bonds3

About methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite

methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite (PubChem CID 87155304) has the molecular formula C7H3F11O3S and a molecular weight of 376.14 g/mol. Its IUPAC name is methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite.

Molecular Properties

Compound Namemethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
PubChem CID87155304
Molecular FormulaC7H3F11O3S
Molecular Weight376.14 g/mol
Exact Mass375.96
IUPAC Namemethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
SMILESCOS(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O3S/c1-20-22(19)21-7(18)5(14,15)3(10,11)2(8,9)4(12,13)6(7,16)17/h1H3
InChIKeyOLCIPJDGGCYONJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The IUPAC name of methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite (CID 87155304) is methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite.
What is the SMILES notation for methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The canonical SMILES for methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite is COS(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The InChIKey is OLCIPJDGGCYONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O3S/c1-20-22(19)21-7(18)5(14,15)3(10,11)2(8,9)4(12,13)6(7,16)17/h1H3.
What are the key properties of methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite has a molecular weight of 376.14 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite is sourced from PubChem (CID 87155304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).