1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide

C8H14F6N2O6S2 — CID 101206163

IUPAC1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide
SMILESO=S(=O)(NCCOCCOCCNS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O6S2/c9-7(10,11)23(17,18)15-1-3-21-5-6-22-4-2-16-24(19,20)8(12,13)14/h15-16H,1-6H2
InChIKeyZGDGZQNUDWVXCI-UHFFFAOYSA-N
MW412.33 g/mol
LogP-0.10
Rot. Bonds11

About 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide (PubChem CID 101206163) has the molecular formula C8H14F6N2O6S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide
PubChem CID101206163
Molecular FormulaC8H14F6N2O6S2
Molecular Weight412.33 g/mol
Exact Mass412.02
IUPAC Name1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide
SMILESO=S(=O)(NCCOCCOCCNS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O6S2/c9-7(10,11)23(17,18)15-1-3-21-5-6-22-4-2-16-24(19,20)8(12,13)14/h15-16H,1-6H2
InChIKeyZGDGZQNUDWVXCI-UHFFFAOYSA-N
XLogP-0.10
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(trifluoromethylsulfonylamino)butanoate chloride
CID 157091886
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
CID 114466800
1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide
CID 102316640
1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide
CID 86049844
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
N-[2-(2-ethoxyethoxy)ethyl]methanesulfonamide
CID 176560121
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 63869486
1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
CID 154642826
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
2,2,2-trifluoroacetic acid;4-(trifluoromethylsulfonylamino)butanoic acid
CID 87783255
N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 177177358
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide (CID 101206163) is 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide is O=S(=O)(NCCOCCOCCNS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide?
The InChIKey is ZGDGZQNUDWVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2O6S2/c9-7(10,11)23(17,18)15-1-3-21-5-6-22-4-2-16-24(19,20)8(12,13)14/h15-16H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide has a molecular weight of 412.33 g/mol, XLogP of -0.10, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 101206163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).