4-fluoro-2,4-dimethylpyran

C7H9FO — CID 123277017

IUPAC4-fluoro-2,4-dimethylpyran
SMILESCC1=CC(C)(F)C=CO1
InChIInChI=1S/C7H9FO/c1-6-5-7(2,8)3-4-9-6/h3-5H,1-2H3
InChIKeyUFYPFBIBZFHKER-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.16
Rot. Bonds

About 4-fluoro-2,4-dimethylpyran

4-fluoro-2,4-dimethylpyran (PubChem CID 123277017) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-fluoro-2,4-dimethylpyran.

Molecular Properties

Compound Name4-fluoro-2,4-dimethylpyran
PubChem CID123277017
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name4-fluoro-2,4-dimethylpyran
SMILESCC1=CC(C)(F)C=CO1
InChIInChI=1S/C7H9FO/c1-6-5-7(2,8)3-4-9-6/h3-5H,1-2H3
InChIKeyUFYPFBIBZFHKER-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2,4-dimethylpyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,4-dimethylpyran?
The IUPAC name of 4-fluoro-2,4-dimethylpyran (CID 123277017) is 4-fluoro-2,4-dimethylpyran.
What is the SMILES notation for 4-fluoro-2,4-dimethylpyran?
The canonical SMILES for 4-fluoro-2,4-dimethylpyran is CC1=CC(C)(F)C=CO1.
What is the InChIKey of 4-fluoro-2,4-dimethylpyran?
The InChIKey is UFYPFBIBZFHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-6-5-7(2,8)3-4-9-6/h3-5H,1-2H3.
What are the key properties of 4-fluoro-2,4-dimethylpyran?
4-fluoro-2,4-dimethylpyran has a molecular weight of 128.15 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,4-dimethylpyran is sourced from PubChem (CID 123277017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).