azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride

C4H5F12NO2S — CID 175311052

IUPACazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
SMILESF.F.N.O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O2S.2FH.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;/h;2*1H;1H3
InChIKeyKBFAVDSNKOVKTD-UHFFFAOYSA-N
MW359.13 g/mol
LogP3.18
Rot. Bonds3

About azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride

azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride (PubChem CID 175311052) has the molecular formula C4H5F12NO2S and a molecular weight of 359.13 g/mol. Its IUPAC name is azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride.

Molecular Properties

Compound Nameazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
PubChem CID175311052
Molecular FormulaC4H5F12NO2S
Molecular Weight359.13 g/mol
Exact Mass358.98
IUPAC Nameazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
SMILESF.F.N.O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O2S.2FH.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;/h;2*1H;1H3
InChIKeyKBFAVDSNKOVKTD-UHFFFAOYSA-N
XLogP3.18
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 88836150
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride?
The IUPAC name of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride (CID 175311052) is azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride.
What is the SMILES notation for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride?
The canonical SMILES for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride is F.F.N.O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride?
The InChIKey is KBFAVDSNKOVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O2S.2FH.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;/h;2*1H;1H3.
What are the key properties of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride?
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride has a molecular weight of 359.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride is sourced from PubChem (CID 175311052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).