N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide

C6H10F5NO2S — CID 102441608

IUPACN,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-3-12(4-2)15(13,14)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyBWAFGQLEWRRVJX-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.81
Rot. Bonds4

About N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide

N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 102441608) has the molecular formula C6H10F5NO2S and a molecular weight of 255.21 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID102441608
Molecular FormulaC6H10F5NO2S
Molecular Weight255.21 g/mol
Exact Mass255.04
IUPAC NameN,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-3-12(4-2)15(13,14)6(10,11)5(7,8)9/h3-4H2,1-2H3
InChIKeyBWAFGQLEWRRVJX-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.81
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 N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide (CID 102441608) is N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide is CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is BWAFGQLEWRRVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO2S/c1-3-12(4-2)15(13,14)6(10,11)5(7,8)9/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide?
N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 255.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 102441608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).