1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride

C5F14O2S — CID 89428495

IUPAC1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C5F12.F2O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-5(2,3)4
InChIKeyGOSXHYDPSFZWOQ-UHFFFAOYSA-N
MW390.09 g/mol
LogP4.19
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride (PubChem CID 89428495) has the molecular formula C5F14O2S and a molecular weight of 390.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride
PubChem CID89428495
Molecular FormulaC5F14O2S
Molecular Weight390.09 g/mol
Exact Mass389.94
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C5F12.F2O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-5(2,3)4
InChIKeyGOSXHYDPSFZWOQ-UHFFFAOYSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.09
LogP ≤ 54.19
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 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride (CID 89428495) is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride?
The InChIKey is GOSXHYDPSFZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12.F2O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-5(2,3)4.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride?
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride has a molecular weight of 390.09 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;sulfuryl difluoride is sourced from PubChem (CID 89428495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).