5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane

C22H25F3O2 — CID 126764958

IUPAC5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
SMILESCCCc1ccc(-c2ccc(C3CCC(COC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C22H25F3O2/c1-3-4-14-6-10-19(22(25)21(14)24)18-9-7-15(11-20(18)23)16-5-8-17(13-26-2)27-12-16/h6-7,9-11,16-17H,3-5,8,12-13H2,1-2H3
InChIKeyJASVQSKWWLABGL-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.63
Rot. Bonds6

About 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane

5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane (PubChem CID 126764958) has the molecular formula C22H25F3O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
PubChem CID126764958
Molecular FormulaC22H25F3O2
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
SMILESCCCc1ccc(-c2ccc(C3CCC(COC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C22H25F3O2/c1-3-4-14-6-10-19(22(25)21(14)24)18-9-7-15(11-20(18)23)16-5-8-17(13-26-2)27-12-16/h6-7,9-11,16-17H,3-5,8,12-13H2,1-2H3
InChIKeyJASVQSKWWLABGL-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane 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-hexyloxane
CID 126764861
5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane
CID 126764887
5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
CID 126764859
5-[4-(4-ethyl-2,3-difluorophenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764928
5-[4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-3-fluorophenyl]-2-pent-3-enyloxane
CID 77344238
2-but-3-enyl-5-[4-[4-(2,3-difluoro-4-octylphenyl)phenyl]-3-fluorophenyl]oxane
CID 67733328
5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-propyloxane
CID 126764872
5-(4-ethenyl-3-fluorophenyl)-2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]oxane
CID 58535465
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-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733920
5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-(propoxymethyl)oxane
CID 126765229
5-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-2-[(E)-pent-3-enyl]oxane
CID 67733316

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane (CID 126764958) is 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane is CCCc1ccc(-c2ccc(C3CCC(COC)OC3)cc2F)c(F)c1F.
What is the InChIKey of 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane?
The InChIKey is JASVQSKWWLABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O2/c1-3-4-14-6-10-19(22(25)21(14)24)18-9-7-15(11-20(18)23)16-5-8-17(13-26-2)27-12-16/h6-7,9-11,16-17H,3-5,8,12-13H2,1-2H3.
What are the key properties of 5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane?
5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane has a molecular weight of 378.43 g/mol, XLogP of 5.63, 6 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-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane is sourced from PubChem (CID 126764958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).