(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide

C16H10F4OS — CID 11120943

IUPAC(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide
SMILESO=S1C2c3ccccc3C(c3ccccc32)[C@]1(F)C(F)(F)F
InChIInChI=1S/C16H10F4OS/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(22(15)21)12-8-4-2-6-10(12)13/h1-8,13-14H/t13?,14?,15-,22?/m1/s1
InChIKeyPTGYKOGKYFAEOZ-LXAGUMONSA-N
MW326.31 g/mol
LogP4.21
Rot. Bonds

About (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide

(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide (PubChem CID 11120943) has the molecular formula C16H10F4OS and a molecular weight of 326.31 g/mol. Its IUPAC name is (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide.

Molecular Properties

Compound Name(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide
PubChem CID11120943
Molecular FormulaC16H10F4OS
Molecular Weight326.31 g/mol
Exact Mass326.04
IUPAC Name(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide
SMILESO=S1C2c3ccccc3C(c3ccccc32)[C@]1(F)C(F)(F)F
InChIInChI=1S/C16H10F4OS/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(22(15)21)12-8-4-2-6-10(12)13/h1-8,13-14H/t13?,14?,15-,22?/m1/s1
InChIKeyPTGYKOGKYFAEOZ-LXAGUMONSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide?
The IUPAC name of (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide (CID 11120943) is (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide.
What is the SMILES notation for (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide?
The canonical SMILES for (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide is O=S1C2c3ccccc3C(c3ccccc32)[C@]1(F)C(F)(F)F.
What is the InChIKey of (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide?
The InChIKey is PTGYKOGKYFAEOZ-LXAGUMONSA-N. The full InChI is InChI=1S/C16H10F4OS/c17-15(16(18,19)20)13-9-5-1-3-7-11(9)14(22(15)21)12-8-4-2-6-10(12)13/h1-8,13-14H/t13?,14?,15-,22?/m1/s1.
What are the key properties of (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide?
(16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide has a molecular weight of 326.31 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-fluoro-16-(trifluoromethyl)-15lambda4-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene 15-oxide is sourced from PubChem (CID 11120943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).