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

C13H14F2O — CID 154712678

IUPAC2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2c(F)cccc2F)OC1
InChIInChI=1S/C13H14F2O/c1-8-6-12(16-7-9(8)2)13-10(14)4-3-5-11(13)15/h3-5,12H,6-7H2,1-2H3
InChIKeyBJPKPRNYCMRUNE-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.76
Rot. Bonds1

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

2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 154712678) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID154712678
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2c(F)cccc2F)OC1
InChIInChI=1S/C13H14F2O/c1-8-6-12(16-7-9(8)2)13-10(14)4-3-5-11(13)15/h3-5,12H,6-7H2,1-2H3
InChIKeyBJPKPRNYCMRUNE-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran (CID 154712678) is 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran is CC1=C(C)CC(c2c(F)cccc2F)OC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is BJPKPRNYCMRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8-6-12(16-7-9(8)2)13-10(14)4-3-5-11(13)15/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 224.25 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 154712678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).