1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide

C7H7F9NO2S- — CID 150564011

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide
SMILESCCC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3/q-1
InChIKeyIKLIJOGVIUVYSU-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.53
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide

1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide (PubChem CID 150564011) has the molecular formula C7H7F9NO2S- and a molecular weight of 340.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide
PubChem CID150564011
Molecular FormulaC7H7F9NO2S-
Molecular Weight340.19 g/mol
Exact Mass340.01
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide
SMILESCCC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3/q-1
InChIKeyIKLIJOGVIUVYSU-UHFFFAOYSA-N
XLogP3.53
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.53
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 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide (CID 150564011) is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide is CCC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide?
The InChIKey is IKLIJOGVIUVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3/q-1.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide?
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide has a molecular weight of 340.19 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)azanide is sourced from PubChem (CID 150564011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).