1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide

C10H14F9NO2S — CID 101221539

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO2S/c1-5(2)20(6(3)4)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h5-6H,1-4H3
InChIKeyDQDGTVSPDJCEBA-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.86
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide (PubChem CID 101221539) has the molecular formula C10H14F9NO2S and a molecular weight of 383.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
PubChem CID101221539
Molecular FormulaC10H14F9NO2S
Molecular Weight383.28 g/mol
Exact Mass383.06
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO2S/c1-5(2)20(6(3)4)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h5-6H,1-4H3
InChIKeyDQDGTVSPDJCEBA-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.86
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-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide (CID 101221539) is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide is CC(C)N(C(C)C)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-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
The InChIKey is DQDGTVSPDJCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9NO2S/c1-5(2)20(6(3)4)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h5-6H,1-4H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide has a molecular weight of 383.28 g/mol, XLogP of 3.86, 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-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 101221539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).