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

C10H12F2O2 — CID 156843763

IUPAC1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
SMILESC=CC1=C(C(=C)O)OCC(F)(F)C1C
InChIInChI=1S/C10H12F2O2/c1-4-8-6(2)10(11,12)5-14-9(8)7(3)13/h4,6,13H,1,3,5H2,2H3
InChIKeyKHBZHVQKLNMYAF-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.80
Rot. Bonds2

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

1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol (PubChem CID 156843763) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol.

Molecular Properties

Compound Name1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
PubChem CID156843763
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
SMILESC=CC1=C(C(=C)O)OCC(F)(F)C1C
InChIInChI=1S/C10H12F2O2/c1-4-8-6(2)10(11,12)5-14-9(8)7(3)13/h4,6,13H,1,3,5H2,2H3
InChIKeyKHBZHVQKLNMYAF-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-[(6-Ethyl-4-methylcyclohexa-1,5-dien-1-yl)oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 167055857
2-(Trifluoromethoxy)-4,4a-dihydronaphthalen-1-ol
CID 154530605
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
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-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol?
The IUPAC name of 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol (CID 156843763) is 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol.
What is the SMILES notation for 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol?
The canonical SMILES for 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol is C=CC1=C(C(=C)O)OCC(F)(F)C1C.
What is the InChIKey of 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol?
The InChIKey is KHBZHVQKLNMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-4-8-6(2)10(11,12)5-14-9(8)7(3)13/h4,6,13H,1,3,5H2,2H3.
What are the key properties of 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol?
1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol has a molecular weight of 202.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol is sourced from PubChem (CID 156843763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).