2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane

C20H21F3O2 — CID 126764737

IUPAC2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)c(F)c2)OC1
InChIInChI=1S/C20H21F3O2/c1-3-24-14-6-9-18(25-11-14)13-5-8-15(17(21)10-13)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3
InChIKeySFHDGVFONSGSDN-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.34
Rot. Bonds4

About 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane

2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane (PubChem CID 126764737) has the molecular formula C20H21F3O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane.

Molecular Properties

Compound Name2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane
PubChem CID126764737
Molecular FormulaC20H21F3O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)c(F)c2)OC1
InChIInChI=1S/C20H21F3O2/c1-3-24-14-6-9-18(25-11-14)13-5-8-15(17(21)10-13)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3
InChIKeySFHDGVFONSGSDN-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-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-butoxy-2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]oxane
CID 126764775
5-butoxy-2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]oxane
CID 126764777
5-butoxy-2-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]oxane
CID 126764785
2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-heptyloxane
CID 126764815
2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-pentyloxane;2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-propoxyoxane;5-butyl-2-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]oxane;5-butyl-2-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]oxane;5-butyl-2-[4-(2,3-difluoro-4-propoxyphenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pentylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-pentyloxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-propoxyoxane
CID 157244412
2-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-5-ethyloxane
CID 126764712
2-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane
CID 126765033
2-[2,3-difluoro-4-(2-fluoro-4-propoxyphenyl)phenyl]-5-propoxyoxane
CID 126765052
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane
CID 126764826
2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane
CID 58535731
2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyloxane
CID 77344046
5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
CID 126764859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane?
The IUPAC name of 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane (CID 126764737) is 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane.
What is the SMILES notation for 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane?
The canonical SMILES for 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane is CCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)c(F)c2)OC1.
What is the InChIKey of 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane?
The InChIKey is SFHDGVFONSGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O2/c1-3-24-14-6-9-18(25-11-14)13-5-8-15(17(21)10-13)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3.
What are the key properties of 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane?
2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane has a molecular weight of 350.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane is sourced from PubChem (CID 126764737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).