2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

C8H11F3O — CID 118200779

IUPAC2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCC1=C(C(F)(F)F)OC(C)CC1
InChIInChI=1S/C8H11F3O/c1-5-3-4-6(2)12-7(5)8(9,10)11/h6H,3-4H2,1-2H3
InChIKeyPNHYRUPRYCYYHV-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.02
Rot. Bonds

About 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran

2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 118200779) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID118200779
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCC1=C(C(F)(F)F)OC(C)CC1
InChIInChI=1S/C8H11F3O/c1-5-3-4-6(2)12-7(5)8(9,10)11/h6H,3-4H2,1-2H3
InChIKeyPNHYRUPRYCYYHV-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 118200779) is 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is CC1=C(C(F)(F)F)OC(C)CC1.
What is the InChIKey of 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is PNHYRUPRYCYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-5-3-4-6(2)12-7(5)8(9,10)11/h6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran?
2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 180.17 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118200779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).