1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane

C7H3F13O2S — CID 12653222

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane
SMILESO=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3F13O2S/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-22-23(20)21/h2H,1H2
InChIKeyUTWYJRVMMFXNON-UHFFFAOYSA-N
MW398.14 g/mol
LogP3.99
Rot. Bonds8

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane (PubChem CID 12653222) has the molecular formula C7H3F13O2S and a molecular weight of 398.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane
PubChem CID12653222
Molecular FormulaC7H3F13O2S
Molecular Weight398.14 g/mol
Exact Mass397.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane
SMILESO=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3F13O2S/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-22-23(20)21/h2H,1H2
InChIKeyUTWYJRVMMFXNON-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane (CID 12653222) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane is O=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane?
The InChIKey is UTWYJRVMMFXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O2S/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-22-23(20)21/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane has a molecular weight of 398.14 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-fluorosulfinyloxyheptane is sourced from PubChem (CID 12653222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).