5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane

C21H23F3O3 — CID 126764609

IUPAC5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
SMILESCCCOc1ccc(-c2ccc(C3CCC(OC)OC3)c(F)c2)c(F)c1F
InChIInChI=1S/C21H23F3O3/c1-3-10-26-18-8-7-16(20(23)21(18)24)13-4-6-15(17(22)11-13)14-5-9-19(25-2)27-12-14/h4,6-8,11,14,19H,3,5,9-10,12H2,1-2H3
InChIKeyJHYNLSLDDPUTGF-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.43
Rot. Bonds6

About 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane

5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane (PubChem CID 126764609) has the molecular formula C21H23F3O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
PubChem CID126764609
Molecular FormulaC21H23F3O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
SMILESCCCOc1ccc(-c2ccc(C3CCC(OC)OC3)c(F)c2)c(F)c1F
InChIInChI=1S/C21H23F3O3/c1-3-10-26-18-8-7-16(20(23)21(18)24)13-4-6-15(17(22)11-13)14-5-9-19(25-2)27-12-14/h4,6-8,11,14,19H,3,5,9-10,12H2,1-2H3
InChIKeyJHYNLSLDDPUTGF-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764647
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
5-[2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)phenyl]-2-pentoxyoxane
CID 126765460
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628
5-[4-(4-butoxy-2,3-difluorophenyl)-2-fluorophenyl]-2-(2-methoxyethyl)oxane
CID 126764693
5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764630
5-[2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765420
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyl-1,3-dioxane
CID 67736363
5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
CID 126764605
2-[(E)-but-2-enoxy]-5-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733779

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane (CID 126764609) is 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane is CCCOc1ccc(-c2ccc(C3CCC(OC)OC3)c(F)c2)c(F)c1F.
What is the InChIKey of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane?
The InChIKey is JHYNLSLDDPUTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3O3/c1-3-10-26-18-8-7-16(20(23)21(18)24)13-4-6-15(17(22)11-13)14-5-9-19(25-2)27-12-14/h4,6-8,11,14,19H,3,5,9-10,12H2,1-2H3.
What are the key properties of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane?
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane has a molecular weight of 380.41 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane is sourced from PubChem (CID 126764609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).