(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

C10H11F3N4O — CID 164854758

IUPAC(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESFC(F)(F)c1cnc2c(n1)OC[C@@H]1CNCCN21
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-4-15-8-9(16-7)18-5-6-3-14-1-2-17(6)8/h4,6,14H,1-3,5H2/t6-/m0/s1
InChIKeyLSVIEJOGGACNHN-LURJTMIESA-N
MW260.22 g/mol
LogP0.67
Rot. Bonds

About (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (PubChem CID 164854758) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
PubChem CID164854758
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESFC(F)(F)c1cnc2c(n1)OC[C@@H]1CNCCN21
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-4-15-8-9(16-7)18-5-6-3-14-1-2-17(6)8/h4,6,14H,1-3,5H2/t6-/m0/s1
InChIKeyLSVIEJOGGACNHN-LURJTMIESA-N
XLogP0.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The IUPAC name of (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (CID 164854758) is (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is FC(F)(F)c1cnc2c(n1)OC[C@@H]1CNCCN21.
What is the InChIKey of (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The InChIKey is LSVIEJOGGACNHN-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-4-15-8-9(16-7)18-5-6-3-14-1-2-17(6)8/h4,6,14H,1-3,5H2/t6-/m0/s1.
What are the key properties of (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene has a molecular weight of 260.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 164854758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).