1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride

C4HF11O2S — CID 87077844

IUPAC1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4HF9.F2O2S/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-5(2,3)4/h1H;
InChIKeyPUXAVDMECAEBGN-UHFFFAOYSA-N
MW322.10 g/mol
LogP3.25
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride

1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride (PubChem CID 87077844) has the molecular formula C4HF11O2S and a molecular weight of 322.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride
PubChem CID87077844
Molecular FormulaC4HF11O2S
Molecular Weight322.10 g/mol
Exact Mass321.95
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4HF9.F2O2S/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-5(2,3)4/h1H;
InChIKeyPUXAVDMECAEBGN-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 53.25
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-nonafluorobutane;sulfuryl difluoride?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride (CID 87077844) is 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride is FC(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-nonafluorobutane;sulfuryl difluoride?
The InChIKey is PUXAVDMECAEBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9.F2O2S/c5-1(6)2(7,8)3(9,10)4(11,12)13;1-5(2,3)4/h1H;.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride?
1,1,1,2,2,3,3,4,4-nonafluorobutane;sulfuryl difluoride has a molecular weight of 322.10 g/mol, XLogP of 3.25, 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-nonafluorobutane;sulfuryl difluoride is sourced from PubChem (CID 87077844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).