2-fluoro-2,5-dimethyl-3,4-dihydropyran

C7H11FO — CID 174971168

IUPAC2-fluoro-2,5-dimethyl-3,4-dihydropyran
SMILESCC1=COC(C)(F)CC1
InChIInChI=1S/C7H11FO/c1-6-3-4-7(2,8)9-5-6/h5H,3-4H2,1-2H3
InChIKeyATFLQWJWYKZUSN-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.39
Rot. Bonds

About 2-fluoro-2,5-dimethyl-3,4-dihydropyran

2-fluoro-2,5-dimethyl-3,4-dihydropyran (PubChem CID 174971168) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-fluoro-2,5-dimethyl-3,4-dihydropyran.

Molecular Properties

Compound Name2-fluoro-2,5-dimethyl-3,4-dihydropyran
PubChem CID174971168
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name2-fluoro-2,5-dimethyl-3,4-dihydropyran
SMILESCC1=COC(C)(F)CC1
InChIInChI=1S/C7H11FO/c1-6-3-4-7(2,8)9-5-6/h5H,3-4H2,1-2H3
InChIKeyATFLQWJWYKZUSN-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 2-fluoro-2,5-dimethyl-3,4-dihydropyran 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 2-fluoro-2,5-dimethyl-3,4-dihydropyran?
The IUPAC name of 2-fluoro-2,5-dimethyl-3,4-dihydropyran (CID 174971168) is 2-fluoro-2,5-dimethyl-3,4-dihydropyran.
What is the SMILES notation for 2-fluoro-2,5-dimethyl-3,4-dihydropyran?
The canonical SMILES for 2-fluoro-2,5-dimethyl-3,4-dihydropyran is CC1=COC(C)(F)CC1.
What is the InChIKey of 2-fluoro-2,5-dimethyl-3,4-dihydropyran?
The InChIKey is ATFLQWJWYKZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-6-3-4-7(2,8)9-5-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-2,5-dimethyl-3,4-dihydropyran?
2-fluoro-2,5-dimethyl-3,4-dihydropyran 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 2-fluoro-2,5-dimethyl-3,4-dihydropyran is sourced from PubChem (CID 174971168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).