1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol

C11H14F2O2 — CID 156843704

IUPAC1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol
SMILESC=C(C)C1=C(C(=C)O)OCC(F)(F)C1C
InChIInChI=1S/C11H14F2O2/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14/h7,14H,1,4-5H2,2-3H3
InChIKeyJGZLUGAHYMRINW-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.19
Rot. Bonds2

About 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol

1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol (PubChem CID 156843704) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol
PubChem CID156843704
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol
SMILESC=C(C)C1=C(C(=C)O)OCC(F)(F)C1C
InChIInChI=1S/C11H14F2O2/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14/h7,14H,1,4-5H2,2-3H3
InChIKeyJGZLUGAHYMRINW-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol with MolForge

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

Launch Full Analysis

Related Compounds

1-[3,3-Difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol;ethane
CID 156843211
1-[3,3-Difluoro-4-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2,4-dihydropyran-6-yl]ethenol;ethane
CID 156843567
1-(3,3-Difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane
CID 156843703
1-(5-Ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
CID 156843763
1-[3,3-Difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol
CID 156843212
1-[5-(1-Chloroethenyl)-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl]ethenol
CID 156843451
1-[3,3-Difluoro-4-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2,4-dihydropyran-6-yl]ethenol
CID 156843568

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol?
The IUPAC name of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol (CID 156843704) is 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol.
What is the SMILES notation for 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol?
The canonical SMILES for 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol is C=C(C)C1=C(C(=C)O)OCC(F)(F)C1C.
What is the InChIKey of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol?
The InChIKey is JGZLUGAHYMRINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14/h7,14H,1,4-5H2,2-3H3.
What are the key properties of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol?
1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol has a molecular weight of 216.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol is sourced from PubChem (CID 156843704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).