3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one

C7H7F3O3 — CID 23262941

IUPAC3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one
SMILESCC1OC(C(F)(F)F)=CC(=O)C1O
InChIInChI=1S/C7H7F3O3/c1-3-6(12)4(11)2-5(13-3)7(8,9)10/h2-3,6,12H,1H3
InChIKeyGZIRXNDVBGWQIT-UHFFFAOYSA-N
MW196.12 g/mol
LogP0.78
Rot. Bonds

About 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one

3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one (PubChem CID 23262941) has the molecular formula C7H7F3O3 and a molecular weight of 196.12 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one
PubChem CID23262941
Molecular FormulaC7H7F3O3
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one
SMILESCC1OC(C(F)(F)F)=CC(=O)C1O
InChIInChI=1S/C7H7F3O3/c1-3-6(12)4(11)2-5(13-3)7(8,9)10/h2-3,6,12H,1H3
InChIKeyGZIRXNDVBGWQIT-UHFFFAOYSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyran-4-one, 2,3-dihydro-3-hydroxy-3-methyl-6-(trifluoromethyl)-
CID 12311761
3-hydroxy-2,3-dimethyl-6-(trifluoromethyl)-2H-pyran-4-one
CID 23272727
Ethyl 1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-piperidinecarboxylate
CID 529485
4H-Pyran-4-one, 6-(heptafluoropropyl)-2,3-dihydro-3-hydroxy-3-methyl-
CID 11066365
4H-Pyran-4-one, 2,3-dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-
CID 12311762

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one (CID 23262941) is 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one is CC1OC(C(F)(F)F)=CC(=O)C1O.
What is the InChIKey of 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one?
The InChIKey is GZIRXNDVBGWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O3/c1-3-6(12)4(11)2-5(13-3)7(8,9)10/h2-3,6,12H,1H3.
What are the key properties of 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one?
3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one has a molecular weight of 196.12 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 23262941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).