N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide

C8H11F6NO3S — CID 163691113

IUPACN-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide
SMILESCCNC(=O)CS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H11F6NO3S/c1-3-15-5(16)4-19(17,18)8(13,14)7(11,12)6(2,9)10/h3-4H2,1-2H3,(H,15,16)
InChIKeyJCTNMNBYNGTFRE-UHFFFAOYSA-N
MW315.24 g/mol
LogP1.42
Rot. Bonds6

About N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide

N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide (PubChem CID 163691113) has the molecular formula C8H11F6NO3S and a molecular weight of 315.24 g/mol. Its IUPAC name is N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide
PubChem CID163691113
Molecular FormulaC8H11F6NO3S
Molecular Weight315.24 g/mol
Exact Mass315.04
IUPAC NameN-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide
SMILESCCNC(=O)CS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H11F6NO3S/c1-3-15-5(16)4-19(17,18)8(13,14)7(11,12)6(2,9)10/h3-4H2,1-2H3,(H,15,16)
InChIKeyJCTNMNBYNGTFRE-UHFFFAOYSA-N
XLogP1.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
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 N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide?
The IUPAC name of N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide (CID 163691113) is N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide?
The canonical SMILES for N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide is CCNC(=O)CS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide?
The InChIKey is JCTNMNBYNGTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO3S/c1-3-15-5(16)4-19(17,18)8(13,14)7(11,12)6(2,9)10/h3-4H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide?
N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide has a molecular weight of 315.24 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide is sourced from PubChem (CID 163691113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).