6,6-difluoro-2,5-dimethyl-2,3-dihydropyran

C7H10F2O — CID 89393797

IUPAC6,6-difluoro-2,5-dimethyl-2,3-dihydropyran
SMILESCC1=CCC(C)OC1(F)F
InChIInChI=1S/C7H10F2O/c1-5-3-4-6(2)10-7(5,8)9/h3,6H,4H2,1-2H3
InChIKeyYPPVUWBWCWSXNZ-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.33
Rot. Bonds

About 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran

6,6-difluoro-2,5-dimethyl-2,3-dihydropyran (PubChem CID 89393797) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-2,5-dimethyl-2,3-dihydropyran
PubChem CID89393797
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name6,6-difluoro-2,5-dimethyl-2,3-dihydropyran
SMILESCC1=CCC(C)OC1(F)F
InChIInChI=1S/C7H10F2O/c1-5-3-4-6(2)10-7(5,8)9/h3,6H,4H2,1-2H3
InChIKeyYPPVUWBWCWSXNZ-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.33
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 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran (CID 89393797) is 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran is CC1=CCC(C)OC1(F)F.
What is the InChIKey of 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran?
The InChIKey is YPPVUWBWCWSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5-3-4-6(2)10-7(5,8)9/h3,6H,4H2,1-2H3.
What are the key properties of 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran?
6,6-difluoro-2,5-dimethyl-2,3-dihydropyran has a molecular weight of 148.15 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,5-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 89393797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).