1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane

C7H8F9NO2S — CID 91202132

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane
SMILESCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)O
InChIInChI=1S/C7H8F9NO2S/c1-17(20(18)19)3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3,(H,18,19)
InChIKeyWZSTUYXGFJVWSP-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.91
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane

1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane (PubChem CID 91202132) has the molecular formula C7H8F9NO2S and a molecular weight of 341.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane
PubChem CID91202132
Molecular FormulaC7H8F9NO2S
Molecular Weight341.20 g/mol
Exact Mass341.01
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane
SMILESCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)O
InChIInChI=1S/C7H8F9NO2S/c1-17(20(18)19)3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3,(H,18,19)
InChIKeyWZSTUYXGFJVWSP-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', '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-nonafluoro-6-[methyl(sulfino)amino]hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane (CID 91202132) is 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane is CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)O.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane?
The InChIKey is WZSTUYXGFJVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO2S/c1-17(20(18)19)3-2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3,(H,18,19).
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane?
1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane has a molecular weight of 341.20 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-6-[methyl(sulfino)amino]hexane is sourced from PubChem (CID 91202132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).