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

C23H27F3O2 — CID 126764610

IUPAC5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
SMILESCCCOc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-17-8-6-16(14-28-17)18-9-7-15(13-20(18)24)19-10-11-21(27-12-4-2)23(26)22(19)25/h7,9-11,13,16-17H,3-6,8,12,14H2,1-2H3
InChIKeyZZDXVHLGJWOPGC-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.62
Rot. Bonds7

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

5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane (PubChem CID 126764610) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
PubChem CID126764610
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
SMILESCCCOc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-17-8-6-16(14-28-17)18-9-7-15(13-20(18)24)19-10-11-21(27-12-4-2)23(26)22(19)25/h7,9-11,13,16-17H,3-6,8,12,14H2,1-2H3
InChIKeyZZDXVHLGJWOPGC-UHFFFAOYSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
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-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
CID 126764609
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733937
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-propyl-1,3-dioxane
CID 67736363
2-but-3-enyl-5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733822
2-but-3-enyl-5-[4-[4-(2,3-difluoro-4-nonoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733836
5-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane
CID 126765439
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-3-fluorophenyl]-2-pentyloxane
CID 67733137

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane (CID 126764610) is 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane is CCCOc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2)c(F)c1F.
What is the InChIKey of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane?
The InChIKey is ZZDXVHLGJWOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-3-5-17-8-6-16(14-28-17)18-9-7-15(13-20(18)24)19-10-11-21(27-12-4-2)23(26)22(19)25/h7,9-11,13,16-17H,3-6,8,12,14H2,1-2H3.
What are the key properties of 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane?
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane has a molecular weight of 392.46 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane is sourced from PubChem (CID 126764610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).