[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate

C11H14F3NO4S — CID 87871181

IUPAC[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate
SMILESO=C1CN2C3CC(OS(=O)(=O)C(F)(F)F)C[C@H]2CC1C3
InChIInChI=1S/C11H14F3NO4S/c12-11(13,14)20(17,18)19-9-3-7-1-6-2-8(4-9)15(7)5-10(6)16/h6-9H,1-5H2/t6?,7-,8?,9?/m1/s1
InChIKeyWUGVWHRUKBKZAV-LDIRUYLGSA-N
MW313.30 g/mol
LogP1.05
Rot. Bonds2

About [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate

[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate (PubChem CID 87871181) has the molecular formula C11H14F3NO4S and a molecular weight of 313.30 g/mol. Its IUPAC name is [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate
PubChem CID87871181
Molecular FormulaC11H14F3NO4S
Molecular Weight313.30 g/mol
Exact Mass313.06
IUPAC Name[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate
SMILESO=C1CN2C3CC(OS(=O)(=O)C(F)(F)F)C[C@H]2CC1C3
InChIInChI=1S/C11H14F3NO4S/c12-11(13,14)20(17,18)19-9-3-7-1-6-2-8(4-9)15(7)5-10(6)16/h6-9H,1-5H2/t6?,7-,8?,9?/m1/s1
InChIKeyWUGVWHRUKBKZAV-LDIRUYLGSA-N
XLogP1.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,7R)-5-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-10-one
CID 16726729
[(3S,7S)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 25173178
5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one
CID 58956863
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-yl trifluoromethanesulfonate
CID 175167610
oxan-4-yl trifluoromethanesulfonate
CID 22736208
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569
[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] trifluoromethanesulfonate
CID 58388557
(3,3,5-trimethylcyclohexyl) trifluoromethanesulfonate
CID 102621159
benzyl 3-(trifluoromethylsulfonyloxy)azetidine-1-carboxylate
CID 131847470
[4-(2-methylbutan-2-yl)cyclohexyl] trifluoromethanesulfonate
CID 102621304
(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine
CID 162208789
(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl) trifluoromethanesulfonate
CID 87674032

Frequently Asked Questions

What is the IUPAC name of [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate?
The IUPAC name of [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate (CID 87871181) is [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate?
The canonical SMILES for [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate is O=C1CN2C3CC(OS(=O)(=O)C(F)(F)F)C[C@H]2CC1C3.
What is the InChIKey of [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate?
The InChIKey is WUGVWHRUKBKZAV-LDIRUYLGSA-N. The full InChI is InChI=1S/C11H14F3NO4S/c12-11(13,14)20(17,18)19-9-3-7-1-6-2-8(4-9)15(7)5-10(6)16/h6-9H,1-5H2/t6?,7-,8?,9?/m1/s1.
What are the key properties of [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate?
[(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate has a molecular weight of 313.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] trifluoromethanesulfonate is sourced from PubChem (CID 87871181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).