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

C13H20F2O2 — CID 156843703

IUPAC1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane
SMILESC=C(C)C1=C(C(=C)O)OCC(F)(F)C1C.CC
InChIInChI=1S/C11H14F2O2.C2H6/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14;1-2/h7,14H,1,4-5H2,2-3H3;1-2H3
InChIKeyLJBBKPZYGWDUBW-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.22
Rot. Bonds2

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

1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane (PubChem CID 156843703) has the molecular formula C13H20F2O2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane
PubChem CID156843703
Molecular FormulaC13H20F2O2
Molecular Weight246.30 g/mol
Exact Mass246.14
IUPAC Name1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane
SMILESC=C(C)C1=C(C(=C)O)OCC(F)(F)C1C.CC
InChIInChI=1S/C11H14F2O2.C2H6/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14;1-2/h7,14H,1,4-5H2,2-3H3;1-2H3
InChIKeyLJBBKPZYGWDUBW-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.22
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

(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
CID 134447520
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-(5-Ethenyl-3,3-difluoro-4-methyl-2,4-dihydropyran-6-yl)ethenol
CID 156843763
(3E,8E)-2-ethoxy-6-ethyl-5-methyl-9-(trifluoromethyl)undeca-1,3,8-triene-4,5-diol
CID 169697025
1-[3,3-Difluoro-6-(1-hydroxyethenyl)-4-methyl-2,4-dihydropyran-5-yl]ethenol
CID 156843212
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
1-(1,1-Difluoroethyl)-6-ethenyl-2-(2-methoxyethoxy)cyclohexa-1,3-diene
CID 162558147

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;ethane?
The IUPAC name of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane (CID 156843703) is 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane.
What is the SMILES notation for 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane?
The canonical SMILES for 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane is C=C(C)C1=C(C(=C)O)OCC(F)(F)C1C.CC.
What is the InChIKey of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane?
The InChIKey is LJBBKPZYGWDUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2.C2H6/c1-6(2)9-7(3)11(12,13)5-15-10(9)8(4)14;1-2/h7,14H,1,4-5H2,2-3H3;1-2H3.
What are the key properties of 1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane?
1-(3,3-difluoro-4-methyl-5-prop-1-en-2-yl-2,4-dihydropyran-6-yl)ethenol;ethane has a molecular weight of 246.30 g/mol, XLogP of 4.22, 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;ethane is sourced from PubChem (CID 156843703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).