2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane

C23H30F4O3 — CID 123910749

IUPAC2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1CCC(c2ccc(C(F)=C(F)C3OCC(F)(CCC)CO3)cc2F)CO1
InChIInChI=1S/C23H30F4O3/c1-3-5-17-8-6-16(12-28-17)18-9-7-15(11-19(18)24)20(25)21(26)22-29-13-23(27,10-4-2)14-30-22/h7,9,11,16-17,22H,3-6,8,10,12-14H2,1-2H3
InChIKeyYAZWUOIABNFOAJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP6.38
Rot. Bonds7

About 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane

2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane (PubChem CID 123910749) has the molecular formula C23H30F4O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane
PubChem CID123910749
Molecular FormulaC23H30F4O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC Name2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane
SMILESCCCC1CCC(c2ccc(C(F)=C(F)C3OCC(F)(CCC)CO3)cc2F)CO1
InChIInChI=1S/C23H30F4O3/c1-3-5-17-8-6-16(12-28-17)18-9-7-15(11-19(18)24)20(25)21(26)22-29-13-23(27,10-4-2)14-30-22/h7,9,11,16-17,22H,3-6,8,10,12-14H2,1-2H3
InChIKeyYAZWUOIABNFOAJ-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane with MolForge

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Related Compounds

[3-fluoro-4-(6-propyloxan-3-yl)phenyl] 5-fluoro-5-propyl-1,3-dioxane-2-carboxylate
CID 118594022
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899
5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane
CID 118594060
2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118593933
[2-fluoro-4-(5-fluoro-5-propyl-1,3-dioxan-2-yl)phenyl] 6-propyloxane-3-carboxylate
CID 118594081
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 67968714
2-[(E)-2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-1,2-difluoroethenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594125
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane
CID 126765482
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane?
The IUPAC name of 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane (CID 123910749) is 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane is CCCC1CCC(c2ccc(C(F)=C(F)C3OCC(F)(CCC)CO3)cc2F)CO1.
What is the InChIKey of 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane?
The InChIKey is YAZWUOIABNFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4O3/c1-3-5-17-8-6-16(12-28-17)18-9-7-15(11-19(18)24)20(25)21(26)22-29-13-23(27,10-4-2)14-30-22/h7,9,11,16-17,22H,3-6,8,10,12-14H2,1-2H3.
What are the key properties of 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane?
2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane has a molecular weight of 430.48 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane is sourced from PubChem (CID 123910749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).