11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene

C10H10F3NS — CID 59789446

IUPAC11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene
SMILESFC(F)(F)c1csc2c1C1CNCC1C2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)7-4-15-8-1-5-2-14-3-6(5)9(7)8/h4-6,14H,1-3H2
InChIKeyUVUXYMSMMMVIDP-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.63
Rot. Bonds

About 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene

11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene (PubChem CID 59789446) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene.

Molecular Properties

Compound Name11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene
PubChem CID59789446
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene
SMILESFC(F)(F)c1csc2c1C1CNCC1C2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)7-4-15-8-1-5-2-14-3-6(5)9(7)8/h4-6,14H,1-3H2
InChIKeyUVUXYMSMMMVIDP-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene?
The IUPAC name of 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene (CID 59789446) is 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene.
What is the SMILES notation for 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene?
The canonical SMILES for 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene is FC(F)(F)c1csc2c1C1CNCC1C2.
What is the InChIKey of 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene?
The InChIKey is UVUXYMSMMMVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)7-4-15-8-1-5-2-14-3-6(5)9(7)8/h4-6,14H,1-3H2.
What are the key properties of 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene?
11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene has a molecular weight of 233.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(trifluoromethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene is sourced from PubChem (CID 59789446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).