4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole

C9H10F2O2 — CID 162613975

IUPAC4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole
SMILESC=CC1=C(C=C(C)C)OC(F)(F)O1
InChIInChI=1S/C9H10F2O2/c1-4-7-8(5-6(2)3)13-9(10,11)12-7/h4-5H,1H2,2-3H3
InChIKeyHYCUUOMOXLDVFX-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.95
Rot. Bonds2

About 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole

4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole (PubChem CID 162613975) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole
PubChem CID162613975
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole
SMILESC=CC1=C(C=C(C)C)OC(F)(F)O1
InChIInChI=1S/C9H10F2O2/c1-4-7-8(5-6(2)3)13-9(10,11)12-7/h4-5H,1H2,2-3H3
InChIKeyHYCUUOMOXLDVFX-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethenyl-2,2-difluoro-5-methyl-1,3-dioxole
CID 123343445
(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane
CID 131992036
(5E)-2,2-difluoro-4-propan-2-ylidene-5-prop-2-enylidene-1,3-dioxolane
CID 132063032
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2,2-difluoro-1,3-dioxole
CID 135173921
(3E)-6-methyl-4-(trifluoromethoxy)hepta-1,3,5-triene
CID 137476990
2,2-difluoro-4-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-dioxole
CID 138629169
(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane
CID 139314044
(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane
CID 143149831
(4E,5E)-4-[(Z)-but-2-enylidene]-2,2-difluoro-5-prop-2-enylidene-1,3-dioxolane
CID 143149854
2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole
CID 143290146
2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane
CID 143291854
4-ethenyl-2,2-difluoro-5-[(E)-2-methylbut-1-enyl]-1,3-dioxole
CID 143342063

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole?
The IUPAC name of 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole (CID 162613975) is 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole?
The canonical SMILES for 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole is C=CC1=C(C=C(C)C)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole?
The InChIKey is HYCUUOMOXLDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-4-7-8(5-6(2)3)13-9(10,11)12-7/h4-5H,1H2,2-3H3.
What are the key properties of 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole?
4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole has a molecular weight of 188.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole is sourced from PubChem (CID 162613975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).