5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane

C21H23F3O3 — CID 126764647

IUPAC5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
SMILESCCCOC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2F)CO1
InChIInChI=1S/C21H23F3O3/c1-3-10-26-19-9-5-14(12-27-19)15-6-4-13(11-17(15)22)16-7-8-18(25-2)21(24)20(16)23/h4,6-8,11,14,19H,3,5,9-10,12H2,1-2H3
InChIKeyIPBCHKUMETXADP-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.43
Rot. Bonds6

About 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane

5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane (PubChem CID 126764647) has the molecular formula C21H23F3O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
PubChem CID126764647
Molecular FormulaC21H23F3O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
SMILESCCCOC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2F)CO1
InChIInChI=1S/C21H23F3O3/c1-3-10-26-19-9-5-14(12-27-19)15-6-4-13(11-17(15)22)16-7-8-18(25-2)21(24)20(16)23/h4,6-8,11,14,19H,3,5,9-10,12H2,1-2H3
InChIKeyIPBCHKUMETXADP-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-methylphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764630
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
CID 126764609
5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
CID 126764605
5-[2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)phenyl]-2-pentoxyoxane
CID 126765460
5-[2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765420
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765456
5-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765463
5-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764924
2-[(E)-but-2-enoxy]-5-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733779
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane (CID 126764647) is 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane is CCCOC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2F)CO1.
What is the InChIKey of 5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane?
The InChIKey is IPBCHKUMETXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3O3/c1-3-10-26-19-9-5-14(12-27-19)15-6-4-13(11-17(15)22)16-7-8-18(25-2)21(24)20(16)23/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-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane?
5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane 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-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane is sourced from PubChem (CID 126764647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).