lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide

C7H8F8LiNO2S — CID 59940140

IUPAClithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]CCCF)C(F)(F)C(F)(F)C(F)(F)CF.[Li+]
InChIInChI=1S/C7H8F8NO2S.Li/c8-2-1-3-16-19(17,18)7(14,15)6(12,13)5(10,11)4-9;/h1-4H2;/q-1;+1
InChIKeyAFHJYJFCGHCTOJ-UHFFFAOYSA-N
MW329.14 g/mol
LogP-0.11
Rot. Bonds8

About lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide

lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide (PubChem CID 59940140) has the molecular formula C7H8F8LiNO2S and a molecular weight of 329.14 g/mol. Its IUPAC name is lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Namelithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide
PubChem CID59940140
Molecular FormulaC7H8F8LiNO2S
Molecular Weight329.14 g/mol
Exact Mass329.03
IUPAC Namelithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]CCCF)C(F)(F)C(F)(F)C(F)(F)CF.[Li+]
InChIInChI=1S/C7H8F8NO2S.Li/c8-2-1-3-16-19(17,18)7(14,15)6(12,13)5(10,11)4-9;/h1-4H2;/q-1;+1
InChIKeyAFHJYJFCGHCTOJ-UHFFFAOYSA-N
XLogP-0.11
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide?
The IUPAC name of lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide (CID 59940140) is lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide.
What is the SMILES notation for lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide?
The canonical SMILES for lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide is O=S(=O)([N-]CCCF)C(F)(F)C(F)(F)C(F)(F)CF.[Li+].
What is the InChIKey of lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide?
The InChIKey is AFHJYJFCGHCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8NO2S.Li/c8-2-1-3-16-19(17,18)7(14,15)6(12,13)5(10,11)4-9;/h1-4H2;/q-1;+1.
What are the key properties of lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide?
lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide has a molecular weight of 329.14 g/mol, XLogP of -0.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide is sourced from PubChem (CID 59940140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).