6-(trifluoromethyl)thiochromen-4-one

C10H5F3OS — CID 102204245

IUPAC6-(trifluoromethyl)thiochromen-4-one
SMILESO=c1ccsc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F3OS/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9/h1-5H
InChIKeyVWOMJCIXLFWGLC-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.28
Rot. Bonds

About 6-(trifluoromethyl)thiochromen-4-one

6-(trifluoromethyl)thiochromen-4-one (PubChem CID 102204245) has the molecular formula C10H5F3OS and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(trifluoromethyl)thiochromen-4-one.

Molecular Properties

Compound Name6-(trifluoromethyl)thiochromen-4-one
PubChem CID102204245
Molecular FormulaC10H5F3OS
Molecular Weight230.21 g/mol
Exact Mass230.00
IUPAC Name6-(trifluoromethyl)thiochromen-4-one
SMILESO=c1ccsc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F3OS/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9/h1-5H
InChIKeyVWOMJCIXLFWGLC-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)thiochromen-4-one?
The IUPAC name of 6-(trifluoromethyl)thiochromen-4-one (CID 102204245) is 6-(trifluoromethyl)thiochromen-4-one.
What is the SMILES notation for 6-(trifluoromethyl)thiochromen-4-one?
The canonical SMILES for 6-(trifluoromethyl)thiochromen-4-one is O=c1ccsc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethyl)thiochromen-4-one?
The InChIKey is VWOMJCIXLFWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3OS/c11-10(12,13)6-1-2-9-7(5-6)8(14)3-4-15-9/h1-5H.
What are the key properties of 6-(trifluoromethyl)thiochromen-4-one?
6-(trifluoromethyl)thiochromen-4-one has a molecular weight of 230.21 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)thiochromen-4-one is sourced from PubChem (CID 102204245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).