2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C10H20F6N2O6S2 — CID 11568426

IUPAC2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCN(CCO)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H19NO2.C2HF6NO4S2/c1-2-3-4-9(5-7-10)6-8-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-8H2,1H3;9H
InChIKeyQLDOGCLMORMALQ-UHFFFAOYSA-N
MW442.40 g/mol
LogP0.35
Rot. Bonds9

About 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 11568426) has the molecular formula C10H20F6N2O6S2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID11568426
Molecular FormulaC10H20F6N2O6S2
Molecular Weight442.40 g/mol
Exact Mass442.07
IUPAC Name2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCN(CCO)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H19NO2.C2HF6NO4S2/c1-2-3-4-9(5-7-10)6-8-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-8H2,1H3;9H
InChIKeyQLDOGCLMORMALQ-UHFFFAOYSA-N
XLogP0.35
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Choline bis(trifluoromethylsulfonyl)imide
CID 53260965
qaPFSMf n=5
CID 139594771
qaPFSMi n=2
CID 139595090
qaPFSMf n=4
CID 139595660
qaPFSMf n=2
CID 139595724
qaPFSMf n=3
CID 139596615
qaPFSMf n=6
CID 139596844
qaPFSMi n=3
CID 139597225
qaPFSMi n=4
CID 139597279
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
N-(2-hydroxyethyl)-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide
CID 131742275
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 11568426) is 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCN(CCO)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is QLDOGCLMORMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C2HF6NO4S2/c1-2-3-4-9(5-7-10)6-8-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-8H2,1H3;9H.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 442.40 g/mol, XLogP of 0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 11568426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).