1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide

C7H8F9NO3S — CID 118595006

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9NO3S/c1-3(18)2-17-21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h3,17-18H,2H2,1H3
InChIKeyBIZJZNSRUOUNNU-UHFFFAOYSA-N
MW357.19 g/mol
LogP1.71
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide (PubChem CID 118595006) has the molecular formula C7H8F9NO3S and a molecular weight of 357.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
PubChem CID118595006
Molecular FormulaC7H8F9NO3S
Molecular Weight357.19 g/mol
Exact Mass357.01
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9NO3S/c1-3(18)2-17-21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h3,17-18H,2H2,1H3
InChIKeyBIZJZNSRUOUNNU-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide (CID 118595006) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide is CC(O)CNS(=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-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
The InChIKey is BIZJZNSRUOUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO3S/c1-3(18)2-17-21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h3,17-18H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide has a molecular weight of 357.19 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 118595006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).