[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate

C5H10F3NO4S — CID 139379245

IUPAC[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate
SMILESCC(C)(COS(=O)(=O)C(F)(F)F)NO
InChIInChI=1S/C5H10F3NO4S/c1-4(2,9-10)3-13-14(11,12)5(6,7)8/h9-10H,3H2,1-2H3
InChIKeyURPJFNPTIOORLY-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.61
Rot. Bonds4

About [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate

[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate (PubChem CID 139379245) has the molecular formula C5H10F3NO4S and a molecular weight of 237.20 g/mol. Its IUPAC name is [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate
PubChem CID139379245
Molecular FormulaC5H10F3NO4S
Molecular Weight237.20 g/mol
Exact Mass237.03
IUPAC Name[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate
SMILESCC(C)(COS(=O)(=O)C(F)(F)F)NO
InChIInChI=1S/C5H10F3NO4S/c1-4(2,9-10)3-13-14(11,12)5(6,7)8/h9-10H,3H2,1-2H3
InChIKeyURPJFNPTIOORLY-UHFFFAOYSA-N
XLogP0.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluoro-2,3-dimethylbutyl) trifluoromethanesulfonate
CID 139022830
[2,2,3,3,4,4,5,5-octafluoro-6-(trifluoromethylsulfonyloxy)hexyl] trifluoromethanesulfonate
CID 88941026
[2,2-bis(bromomethyl)-3-(trifluoromethylsulfonyloxy)propyl] trifluoromethanesulfonate
CID 22760250
[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl] trifluoromethanesulfonate
CID 23236832
3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol;[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropyl] trifluoromethanesulfonate
CID 159875483
2-methylpropyl trifluoromethanesulfonate
CID 639197
[2-(trifluoromethylsulfonyloxy)acetyl] 2-(trifluoromethylsulfonyloxy)acetate
CID 54131095
(3-methoxy-3-methylbutyl) trifluoromethanesulfonate
CID 106669365
methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid
CID 54262047
3-(trifluoromethylsulfonyloxy)pent-3-enyl trifluoromethanesulfonate
CID 154500239
tert-butyl 2-acetyl-2-(trifluoromethylsulfonyloxymethyl)pentanoate
CID 139799167
2-propoxyethyl trifluoromethanesulfonate
CID 106509992

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate?
The IUPAC name of [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate (CID 139379245) is [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate.
What is the SMILES notation for [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate?
The canonical SMILES for [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate is CC(C)(COS(=O)(=O)C(F)(F)F)NO.
What is the InChIKey of [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate?
The InChIKey is URPJFNPTIOORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO4S/c1-4(2,9-10)3-13-14(11,12)5(6,7)8/h9-10H,3H2,1-2H3.
What are the key properties of [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate?
[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate has a molecular weight of 237.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate is sourced from PubChem (CID 139379245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).