2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C5H10F6N2O5S2 — CID 171926368

IUPAC2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCOCCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF6NO4S2/c1-5-3-2-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;9H
InChIKeyDMAKNSIUOWWTOD-UHFFFAOYSA-N
MW356.27 g/mol
LogP-0.13
Rot. Bonds4

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

2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 171926368) has the molecular formula C5H10F6N2O5S2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID171926368
Molecular FormulaC5H10F6N2O5S2
Molecular Weight356.27 g/mol
Exact Mass355.99
IUPAC Name2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCOCCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF6NO4S2/c1-5-3-2-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;9H
InChIKeyDMAKNSIUOWWTOD-UHFFFAOYSA-N
XLogP-0.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 171926368) is 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is COCCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is DMAKNSIUOWWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF6NO4S2/c1-5-3-2-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;9H.
What are the key properties of 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 356.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 171926368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).