2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane

C28H25F5O — CID 58535568

IUPAC2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane
SMILESC=Cc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)c(F)c1
InChIInChI=1S/C28H25F5O/c1-3-5-17-7-13-24(34-15-17)22-12-11-21(27(32)28(22)33)20-10-9-19(25(30)26(20)31)18-8-6-16(4-2)14-23(18)29/h4,6,8-12,14,17,24H,2-3,5,7,13,15H2,1H3
InChIKeyFAVGBFGSFHYMBE-UHFFFAOYSA-N
MW472.50 g/mol
LogP8.63
Rot. Bonds6

About 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane

2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane (PubChem CID 58535568) has the molecular formula C28H25F5O and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane.

Molecular Properties

Compound Name2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane
PubChem CID58535568
Molecular FormulaC28H25F5O
Molecular Weight472.50 g/mol
Exact Mass472.18
IUPAC Name2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane
SMILESC=Cc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)c(F)c1
InChIInChI=1S/C28H25F5O/c1-3-5-17-7-13-24(34-15-17)22-12-11-21(27(32)28(22)33)20-10-9-19(25(30)26(20)31)18-8-6-16(4-2)14-23(18)29/h4,6,8-12,14,17,24H,2-3,5,7,13,15H2,1H3
InChIKeyFAVGBFGSFHYMBE-UHFFFAOYSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane with MolForge

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Related Compounds

2-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-propyloxane
CID 126764970
2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
2-[2,3-difluoro-4-(4-fluorophenyl)phenyl]-5-propyloxane
CID 118593500
2-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-5-butyloxane
CID 126765014
2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535595
5-butyl-2-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane
CID 126765008
2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535615
2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535466
2-[4-[2,3-difluoro-4-(6-prop-1-enyloxan-3-yl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 76816033
2-[2,3-difluoro-4-(2-fluoro-4-propoxyphenyl)phenyl]-5-heptyloxane
CID 126765066
5-[4-[4-[2-(4-ethenyl-2-fluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535839
2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
CID 126765062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane?
The IUPAC name of 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane (CID 58535568) is 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane.
What is the SMILES notation for 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane?
The canonical SMILES for 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane is C=Cc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)c(F)c1.
What is the InChIKey of 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane?
The InChIKey is FAVGBFGSFHYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F5O/c1-3-5-17-7-13-24(34-15-17)22-12-11-21(27(32)28(22)33)20-10-9-19(25(30)26(20)31)18-8-6-16(4-2)14-23(18)29/h4,6,8-12,14,17,24H,2-3,5,7,13,15H2,1H3.
What are the key properties of 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane?
2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane has a molecular weight of 472.50 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane is sourced from PubChem (CID 58535568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).