4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran

C9H11F3OS — CID 102259269

IUPAC4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran
SMILESCC(C)OC1C=CSC(C(F)(F)F)=C1
InChIInChI=1S/C9H11F3OS/c1-6(2)13-7-3-4-14-8(5-7)9(10,11)12/h3-7H,1-2H3
InChIKeyPVFLIGWKKVEXKL-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.49
Rot. Bonds2

About 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran

4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran (PubChem CID 102259269) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran
PubChem CID102259269
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran
SMILESCC(C)OC1C=CSC(C(F)(F)F)=C1
InChIInChI=1S/C9H11F3OS/c1-6(2)13-7-3-4-14-8(5-7)9(10,11)12/h3-7H,1-2H3
InChIKeyPVFLIGWKKVEXKL-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

Analyze 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yloxy-6-(trifluoromethyl)-2H-thiopyran
CID 102259265
4-methoxy-2-(trifluoromethyl)-4H-thiopyran
CID 102259268
3-ethoxy-3,6-dihydro-2H-thiopyran
CID 139942024
(2S)-2-[[(E,2R)-pent-3-en-2-yl]oxymethyl]thiirane
CID 10329543

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran?
The IUPAC name of 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran (CID 102259269) is 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran.
What is the SMILES notation for 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran?
The canonical SMILES for 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran is CC(C)OC1C=CSC(C(F)(F)F)=C1.
What is the InChIKey of 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran?
The InChIKey is PVFLIGWKKVEXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-6(2)13-7-3-4-14-8(5-7)9(10,11)12/h3-7H,1-2H3.
What are the key properties of 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran?
4-propan-2-yloxy-2-(trifluoromethyl)-4H-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 4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran is sourced from PubChem (CID 102259269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).