6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran

C7H11FO — CID 89393798

IUPAC6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C)CC1
InChIInChI=1S/C7H11FO/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3
InChIKeyCKBNUGLVAZRWNH-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.39
Rot. Bonds

About 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran

6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 89393798) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID89393798
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C)CC1
InChIInChI=1S/C7H11FO/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3
InChIKeyCKBNUGLVAZRWNH-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran 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 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran (CID 89393798) is 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran is CC1=C(F)OC(C)CC1.
What is the InChIKey of 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is CKBNUGLVAZRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-5-3-4-6(2)9-7(5)8/h6H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran?
6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 130.16 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89393798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).