2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane

C16H20F2O2 — CID 175602385

IUPAC2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane
SMILESCC(C)(C)c1ccc(C(CC2OCCO2)=C(F)F)cc1
InChIInChI=1S/C16H20F2O2/c1-16(2,3)12-6-4-11(5-7-12)13(15(17)18)10-14-19-8-9-20-14/h4-7,14H,8-10H2,1-3H3
InChIKeyJEBZRKBQELUKCK-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.35
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane

2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane (PubChem CID 175602385) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane
PubChem CID175602385
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane
SMILESCC(C)(C)c1ccc(C(CC2OCCO2)=C(F)F)cc1
InChIInChI=1S/C16H20F2O2/c1-16(2,3)12-6-4-11(5-7-12)13(15(17)18)10-14-19-8-9-20-14/h4-7,14H,8-10H2,1-3H3
InChIKeyJEBZRKBQELUKCK-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 2757286
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
3-(4-tert-butylphenyl)-5-(1,3-dioxolan-2-yl)pent-2-enoic acid
CID 68870272
2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
CID 178015326
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554705
2,3-bis(4-tert-butylphenoxy)-1,4-dioxane
CID 3315925
1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
CID 125477226
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane (CID 175602385) is 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane is CC(C)(C)c1ccc(C(CC2OCCO2)=C(F)F)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane?
The InChIKey is JEBZRKBQELUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c1-16(2,3)12-6-4-11(5-7-12)13(15(17)18)10-14-19-8-9-20-14/h4-7,14H,8-10H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane?
2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane has a molecular weight of 282.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-3,3-difluoroprop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 175602385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).