2,3-dimethyl-6-(trifluoromethyl)pyran-4-one

C8H7F3O2 — CID 11788765

IUPAC2,3-dimethyl-6-(trifluoromethyl)pyran-4-one
SMILESCc1oc(C(F)(F)F)cc(=O)c1C
InChIInChI=1S/C8H7F3O2/c1-4-5(2)13-7(3-6(4)12)8(9,10)11/h3H,1-2H3
InChIKeyCHWVRMYUCIUQHM-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.28
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one

2,3-dimethyl-6-(trifluoromethyl)pyran-4-one (PubChem CID 11788765) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)pyran-4-one
PubChem CID11788765
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)pyran-4-one
SMILESCc1oc(C(F)(F)F)cc(=O)c1C
InChIInChI=1S/C8H7F3O2/c1-4-5(2)13-7(3-6(4)12)8(9,10)11/h3H,1-2H3
InChIKeyCHWVRMYUCIUQHM-UHFFFAOYSA-N
XLogP2.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one (CID 11788765) is 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one is Cc1oc(C(F)(F)F)cc(=O)c1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one?
The InChIKey is CHWVRMYUCIUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-4-5(2)13-7(3-6(4)12)8(9,10)11/h3H,1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one?
2,3-dimethyl-6-(trifluoromethyl)pyran-4-one has a molecular weight of 192.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)pyran-4-one is sourced from PubChem (CID 11788765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).