7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide

C10H9F3O2S — CID 152713473

IUPAC7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide
SMILESO=S1CCC=C2C=CC(OC(F)(F)F)=CC21
InChIInChI=1S/C10H9F3O2S/c11-10(12,13)15-8-4-3-7-2-1-5-16(14)9(7)6-8/h2-4,6,9H,1,5H2
InChIKeyZUCGWVHBAXFPSC-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.42
Rot. Bonds1

About 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide

7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide (PubChem CID 152713473) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide.

Molecular Properties

Compound Name7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide
PubChem CID152713473
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Name7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide
SMILESO=S1CCC=C2C=CC(OC(F)(F)F)=CC21
InChIInChI=1S/C10H9F3O2S/c11-10(12,13)15-8-4-3-7-2-1-5-16(14)9(7)6-8/h2-4,6,9H,1,5H2
InChIKeyZUCGWVHBAXFPSC-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide?
The IUPAC name of 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide (CID 152713473) is 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide.
What is the SMILES notation for 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide?
The canonical SMILES for 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide is O=S1CCC=C2C=CC(OC(F)(F)F)=CC21.
What is the InChIKey of 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide?
The InChIKey is ZUCGWVHBAXFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2S/c11-10(12,13)15-8-4-3-7-2-1-5-16(14)9(7)6-8/h2-4,6,9H,1,5H2.
What are the key properties of 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide?
7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide has a molecular weight of 250.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide is sourced from PubChem (CID 152713473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).