3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

C7H9F3O — CID 148771557

IUPAC3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCC1CC=C(C(F)(F)F)OC1
InChIInChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h3,5H,2,4H2,1H3
InChIKeyOIMXBJKUMFFJOD-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.49
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 148771557) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID148771557
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCC1CC=C(C(F)(F)F)OC1
InChIInChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h3,5H,2,4H2,1H3
InChIKeyOIMXBJKUMFFJOD-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 148771557) is 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is CC1CC=C(C(F)(F)F)OC1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is OIMXBJKUMFFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h3,5H,2,4H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 166.14 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 148771557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).