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

C16H10F4S — CID 15668050

IUPAC16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)(F)C1(F)SC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H10F4S/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(21-15)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKeyFSYNMOWKFNDDTF-UHFFFAOYSA-N
MW310.31 g/mol
LogP5.20
Rot. Bonds

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

16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 15668050) has the molecular formula C16H10F4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID15668050
Molecular FormulaC16H10F4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)(F)C1(F)SC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H10F4S/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(21-15)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKeyFSYNMOWKFNDDTF-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.31
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 15668050) is 16-fluoro-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-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is FC(F)(F)C1(F)SC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is FSYNMOWKFNDDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4S/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(21-15)12-8-4-2-6-10(12)13/h1-8,13-14H.
What are the key properties of 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 310.31 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-16-(trifluoromethyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 15668050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).