2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C6H12F6N2O5S2 — CID 72943323

IUPAC2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCN(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF6NO4S2/c1-5(2)3-4-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-4H2,1-2H3;9H
InChIKeyIXHYPRFOBMYSIB-UHFFFAOYSA-N
MW370.29 g/mol
LogP-0.18
Rot. Bonds4

About 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 72943323) has the molecular formula C6H12F6N2O5S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID72943323
Molecular FormulaC6H12F6N2O5S2
Molecular Weight370.29 g/mol
Exact Mass370.01
IUPAC Name2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCN(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF6NO4S2/c1-5(2)3-4-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-4H2,1-2H3;9H
InChIKeyIXHYPRFOBMYSIB-UHFFFAOYSA-N
XLogP-0.18
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 72943323) is 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CN(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is IXHYPRFOBMYSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2HF6NO4S2/c1-5(2)3-4-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-4H2,1-2H3;9H.
What are the key properties of 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 370.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 72943323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).