6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene

C14H10F4O3S — CID 69166350

IUPAC6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene
SMILESOS1(O)c2ccc(OC(F)(F)F)cc2Cc2ccc(F)cc21
InChIInChI=1S/C14H10F4O3S/c15-10-2-1-8-5-9-6-11(21-14(16,17)18)3-4-12(9)22(19,20)13(8)7-10/h1-4,6-7,19-20H,5H2
InChIKeyDLOVYEXNSWAYRA-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.80
Rot. Bonds1

About 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene

6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene (PubChem CID 69166350) has the molecular formula C14H10F4O3S and a molecular weight of 334.29 g/mol. Its IUPAC name is 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene.

Molecular Properties

Compound Name6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene
PubChem CID69166350
Molecular FormulaC14H10F4O3S
Molecular Weight334.29 g/mol
Exact Mass334.03
IUPAC Name6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene
SMILESOS1(O)c2ccc(OC(F)(F)F)cc2Cc2ccc(F)cc21
InChIInChI=1S/C14H10F4O3S/c15-10-2-1-8-5-9-6-11(21-14(16,17)18)3-4-12(9)22(19,20)13(8)7-10/h1-4,6-7,19-20H,5H2
InChIKeyDLOVYEXNSWAYRA-UHFFFAOYSA-N
XLogP4.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene?
The IUPAC name of 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene (CID 69166350) is 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene.
What is the SMILES notation for 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene?
The canonical SMILES for 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene is OS1(O)c2ccc(OC(F)(F)F)cc2Cc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene?
The InChIKey is DLOVYEXNSWAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O3S/c15-10-2-1-8-5-9-6-11(21-14(16,17)18)3-4-12(9)22(19,20)13(8)7-10/h1-4,6-7,19-20H,5H2.
What are the key properties of 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene?
6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene has a molecular weight of 334.29 g/mol, XLogP of 4.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene is sourced from PubChem (CID 69166350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).