2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran

C9H11F3OS — CID 102259265

IUPAC2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran
SMILESCC(C)OC1C=CC=C(C(F)(F)F)S1
InChIInChI=1S/C9H11F3OS/c1-6(2)13-8-5-3-4-7(14-8)9(10,11)12/h3-6,8H,1-2H3
InChIKeyGGRVIABETIZGRX-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.49
Rot. Bonds2

About 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran

2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran (PubChem CID 102259265) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran.

Molecular Properties

Compound Name2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran
PubChem CID102259265
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran
SMILESCC(C)OC1C=CC=C(C(F)(F)F)S1
InChIInChI=1S/C9H11F3OS/c1-6(2)13-8-5-3-4-7(14-8)9(10,11)12/h3-6,8H,1-2H3
InChIKeyGGRVIABETIZGRX-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran?
The IUPAC name of 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran (CID 102259265) is 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran.
What is the SMILES notation for 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran?
The canonical SMILES for 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran is CC(C)OC1C=CC=C(C(F)(F)F)S1.
What is the InChIKey of 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran?
The InChIKey is GGRVIABETIZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-6(2)13-8-5-3-4-7(14-8)9(10,11)12/h3-6,8H,1-2H3.
What are the key properties of 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran?
2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran has a molecular weight of 224.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran is sourced from PubChem (CID 102259265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).