2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane

C26H24F4O — CID 70820703

IUPAC2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CO4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C26H24F4O/c1-3-16-9-10-19(24(28)23(16)27)17-5-7-18(8-6-17)20-11-12-21(26(30)25(20)29)22-13-4-15(2)14-31-22/h5-12,15,22H,3-4,13-14H2,1-2H3
InChIKeyYDRSSVILCQGEIY-UHFFFAOYSA-N
MW428.47 g/mol
LogP7.63
Rot. Bonds4

About 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane

2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane (PubChem CID 70820703) has the molecular formula C26H24F4O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane.

Molecular Properties

Compound Name2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
PubChem CID70820703
Molecular FormulaC26H24F4O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CO4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C26H24F4O/c1-3-16-9-10-19(24(28)23(16)27)17-5-7-18(8-6-17)20-11-12-21(26(30)25(20)29)22-13-4-15(2)14-31-22/h5-12,15,22H,3-4,13-14H2,1-2H3
InChIKeyYDRSSVILCQGEIY-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
CID 70866970
2-[4-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2-fluorophenyl]-5-methyloxane
CID 143773009
2-[4-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 67732738
2-[2,3-difluoro-4-(4-fluorophenyl)phenyl]-5-propyloxane
CID 118593500
5-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-2-propyl-1,3-dioxane
CID 67736869
2-[4-(4-ethyl-2,3-difluorophenyl)-2-fluorophenyl]-5-pentyloxane
CID 126764444
5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane
CID 67735344
2-[4-[4-(4-but-2-enyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-ethyloxane
CID 77344166
2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-5-methyloxane
CID 70820693
(2S)-2-(2,3-difluoro-4-methylphenyl)-5-methyloxane
CID 118188483
2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 89140003
5-but-3-enyl-2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732985

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane?
The IUPAC name of 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane (CID 70820703) is 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane.
What is the SMILES notation for 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane?
The canonical SMILES for 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane is CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CO4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane?
The InChIKey is YDRSSVILCQGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4O/c1-3-16-9-10-19(24(28)23(16)27)17-5-7-18(8-6-17)20-11-12-21(26(30)25(20)29)22-13-4-15(2)14-31-22/h5-12,15,22H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane?
2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane has a molecular weight of 428.47 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane is sourced from PubChem (CID 70820703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).