16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C16H11F3S — CID 134924923

IUPAC16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)(F)C1SC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H11F3S/c17-16(18,19)15-13-9-5-1-3-7-11(9)14(20-15)12-8-4-2-6-10(12)13/h1-8,13-15H
InChIKeyVARYJNNCPQGFNS-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.90
Rot. Bonds

About 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 134924923) has the molecular formula C16H11F3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID134924923
Molecular FormulaC16H11F3S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)(F)C1SC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H11F3S/c17-16(18,19)15-13-9-5-1-3-7-11(9)14(20-15)12-8-4-2-6-10(12)13/h1-8,13-15H
InChIKeyVARYJNNCPQGFNS-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 134924923) is 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is FC(F)(F)C1SC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is VARYJNNCPQGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3S/c17-16(18,19)15-13-9-5-1-3-7-11(9)14(20-15)12-8-4-2-6-10(12)13/h1-8,13-15H.
What are the key properties of 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 292.32 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 134924923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).