4-methoxy-2-(trifluoromethyl)-4H-thiopyran

C7H7F3OS — CID 102259268

IUPAC4-methoxy-2-(trifluoromethyl)-4H-thiopyran
SMILESCOC1C=CSC(C(F)(F)F)=C1
InChIInChI=1S/C7H7F3OS/c1-11-5-2-3-12-6(4-5)7(8,9)10/h2-5H,1H3
InChIKeySUZHNAJJSQKZCG-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.71
Rot. Bonds1

About 4-methoxy-2-(trifluoromethyl)-4H-thiopyran

4-methoxy-2-(trifluoromethyl)-4H-thiopyran (PubChem CID 102259268) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)-4H-thiopyran.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)-4H-thiopyran
PubChem CID102259268
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name4-methoxy-2-(trifluoromethyl)-4H-thiopyran
SMILESCOC1C=CSC(C(F)(F)F)=C1
InChIInChI=1S/C7H7F3OS/c1-11-5-2-3-12-6(4-5)7(8,9)10/h2-5H,1H3
InChIKeySUZHNAJJSQKZCG-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)-4H-thiopyran?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)-4H-thiopyran (CID 102259268) is 4-methoxy-2-(trifluoromethyl)-4H-thiopyran.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)-4H-thiopyran?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)-4H-thiopyran is COC1C=CSC(C(F)(F)F)=C1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)-4H-thiopyran?
The InChIKey is SUZHNAJJSQKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-11-5-2-3-12-6(4-5)7(8,9)10/h2-5H,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)-4H-thiopyran?
4-methoxy-2-(trifluoromethyl)-4H-thiopyran has a molecular weight of 196.19 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)-4H-thiopyran is sourced from PubChem (CID 102259268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).