azane;2-methoxyethyl trifluoromethanesulfonate

C4H10F3NO4S — CID 174839740

IUPACazane;2-methoxyethyl trifluoromethanesulfonate
SMILESCOCCOS(=O)(=O)C(F)(F)F.N
InChIInChI=1S/C4H7F3O4S.H3N/c1-10-2-3-11-12(8,9)4(5,6)7;/h2-3H2,1H3;1H3
InChIKeyFFRXXMXOTVBWHY-UHFFFAOYSA-N
MW225.19 g/mol
LogP0.66
Rot. Bonds4

About azane;2-methoxyethyl trifluoromethanesulfonate

azane;2-methoxyethyl trifluoromethanesulfonate (PubChem CID 174839740) has the molecular formula C4H10F3NO4S and a molecular weight of 225.19 g/mol. Its IUPAC name is azane;2-methoxyethyl trifluoromethanesulfonate.

Molecular Properties

Compound Nameazane;2-methoxyethyl trifluoromethanesulfonate
PubChem CID174839740
Molecular FormulaC4H10F3NO4S
Molecular Weight225.19 g/mol
Exact Mass225.03
IUPAC Nameazane;2-methoxyethyl trifluoromethanesulfonate
SMILESCOCCOS(=O)(=O)C(F)(F)F.N
InChIInChI=1S/C4H7F3O4S.H3N/c1-10-2-3-11-12(8,9)4(5,6)7;/h2-3H2,1H3;1H3
InChIKeyFFRXXMXOTVBWHY-UHFFFAOYSA-N
XLogP0.66
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 53942428
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CID 87757421
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CID 104246176
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CID 106509992
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CID 106509996
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CID 139845345
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CID 146403878
CID 146403878

Frequently Asked Questions

What is the IUPAC name of azane;2-methoxyethyl trifluoromethanesulfonate?
The IUPAC name of azane;2-methoxyethyl trifluoromethanesulfonate (CID 174839740) is azane;2-methoxyethyl trifluoromethanesulfonate.
What is the SMILES notation for azane;2-methoxyethyl trifluoromethanesulfonate?
The canonical SMILES for azane;2-methoxyethyl trifluoromethanesulfonate is COCCOS(=O)(=O)C(F)(F)F.N.
What is the InChIKey of azane;2-methoxyethyl trifluoromethanesulfonate?
The InChIKey is FFRXXMXOTVBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O4S.H3N/c1-10-2-3-11-12(8,9)4(5,6)7;/h2-3H2,1H3;1H3.
What are the key properties of azane;2-methoxyethyl trifluoromethanesulfonate?
azane;2-methoxyethyl trifluoromethanesulfonate has a molecular weight of 225.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methoxyethyl trifluoromethanesulfonate is sourced from PubChem (CID 174839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).