5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane

C23H27F3O2 — CID 126764887

IUPAC5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(OCC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-6-15-7-11-19(23(26)22(15)25)18-10-8-16(13-20(18)24)17-9-12-21(27-4-2)28-14-17/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3
InChIKeyADSVQBORPMZWOD-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.37
Rot. Bonds7

About 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane

5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane (PubChem CID 126764887) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane.

Molecular Properties

Compound Name5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane
PubChem CID126764887
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(OCC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-6-15-7-11-19(23(26)22(15)25)18-10-8-16(13-20(18)24)17-9-12-21(27-4-2)28-14-17/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3
InChIKeyADSVQBORPMZWOD-UHFFFAOYSA-N
XLogP6.37
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 ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-ethyl-2,3-difluorophenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764928
5-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764924
5-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-butyloxane;2-butyl-5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]oxane;5-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]-2-ethoxyoxane;5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-ethoxyoxane;5-[4-(2,3-difluoro-4-pentylphenyl)-3-fluorophenyl]-2-ethoxyoxane;5-[4-(2,3-difluoro-4-pentylphenyl)-3-fluorophenyl]-2-methoxyoxane;5-[4-(2,3-difluoro-4-propoxyphenyl)-3-fluorophenyl]-2-ethoxyoxane;5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-methoxyoxane;5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-methoxyoxane
CID 159003732
5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
CID 126764958
2-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-5-ethyloxane
CID 126764712
5-[4-(4-ethyl-2,3-difluorophenyl)-3-fluorophenyl]-2-hexyloxane
CID 126764861
5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-propyloxane
CID 126764872
5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane
CID 126765173
5-[4-[4-(4-decyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-2-ethenyloxane
CID 67733167
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765141
5-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765463
1-butyl-2,3-difluoro-4-[2-fluoro-4-[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]phenyl]benzene
CID 20621677

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane?
The IUPAC name of 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane (CID 126764887) is 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane.
What is the SMILES notation for 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane?
The canonical SMILES for 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane is CCCCc1ccc(-c2ccc(C3CCC(OCC)OC3)cc2F)c(F)c1F.
What is the InChIKey of 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane?
The InChIKey is ADSVQBORPMZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-3-5-6-15-7-11-19(23(26)22(15)25)18-10-8-16(13-20(18)24)17-9-12-21(27-4-2)28-14-17/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3.
What are the key properties of 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane?
5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane has a molecular weight of 392.46 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane is sourced from PubChem (CID 126764887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).