1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol

C10H12F2O3 — CID 156843212

IUPAC1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol
SMILESC=C(O)C1=C(C(=C)O)C(C)C(F)(F)CO1
InChIInChI=1S/C10H12F2O3/c1-5-8(6(2)13)9(7(3)14)15-4-10(5,11)12/h5,13-14H,2-4H2,1H3
InChIKeyBZPZMFANQIJKAQ-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.69
Rot. Bonds2

About 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol

1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol (PubChem CID 156843212) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol.

Molecular Properties

Compound Name1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol
PubChem CID156843212
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol
SMILESC=C(O)C1=C(C(=C)O)C(C)C(F)(F)CO1
InChIInChI=1S/C10H12F2O3/c1-5-8(6(2)13)9(7(3)14)15-4-10(5,11)12/h5,13-14H,2-4H2,1H3
InChIKeyBZPZMFANQIJKAQ-UHFFFAOYSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,3-Difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol;ethane
CID 156843211
1-[5-(1-Chloroethenyl)-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl]ethenol;ethane
CID 156843450
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-[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
1-(3,3-Difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol
CID 156843704

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol?
The IUPAC name of 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol (CID 156843212) is 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol.
What is the SMILES notation for 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol?
The canonical SMILES for 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol is C=C(O)C1=C(C(=C)O)C(C)C(F)(F)CO1.
What is the InChIKey of 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol?
The InChIKey is BZPZMFANQIJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-5-8(6(2)13)9(7(3)14)15-4-10(5,11)12/h5,13-14H,2-4H2,1H3.
What are the key properties of 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol?
1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol has a molecular weight of 218.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol is sourced from PubChem (CID 156843212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).