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

C23H27F3O2 — CID 126764492

IUPAC2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(OCC)CO3)c(F)c2)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-6-15-7-10-18(23(26)22(15)25)16-8-11-19(20(24)13-16)21-12-9-17(14-28-21)27-4-2/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3
InChIKeyLAFQLKQNZZXLSQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.37
Rot. Bonds7

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

2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane (PubChem CID 126764492) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane.

Molecular Properties

Compound Name2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane
PubChem CID126764492
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(OCC)CO3)c(F)c2)c(F)c1F
InChIInChI=1S/C23H27F3O2/c1-3-5-6-15-7-10-18(23(26)22(15)25)16-8-11-19(20(24)13-16)21-12-9-17(14-28-21)27-4-2/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3
InChIKeyLAFQLKQNZZXLSQ-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

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Related Compounds

2-[4-(2,3-difluoro-4-pentylphenyl)-2-fluorophenyl]-5-ethyloxane
CID 126764455
2-[4-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2-fluorophenyl]-5-methyloxane
CID 143773009
5-butyl-2-[4-(2,3-difluoro-4-pentylphenyl)-2-fluorophenyl]oxane
CID 126764442
5-butyl-2-[4-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]oxane
CID 126764454
2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
CID 126765240
2-[4-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]-5-pentyloxane
CID 126764470
5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-2-fluorophenyl]oxane
CID 126764559
2-[4-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732561
2-[4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2-fluorophenyl]-5-pentyloxane
CID 67732475
2-[4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732645
2-[4-(4-ethyl-2,3-difluorophenyl)-2-fluorophenyl]-5-pentyloxane
CID 126764444
2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane
CID 58535731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane?
The IUPAC name of 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane (CID 126764492) is 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane.
What is the SMILES notation for 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane?
The canonical SMILES for 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane is CCCCc1ccc(-c2ccc(C3CCC(OCC)CO3)c(F)c2)c(F)c1F.
What is the InChIKey of 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane?
The InChIKey is LAFQLKQNZZXLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-3-5-6-15-7-10-18(23(26)22(15)25)16-8-11-19(20(24)13-16)21-12-9-17(14-28-21)27-4-2/h7-8,10-11,13,17,21H,3-6,9,12,14H2,1-2H3.
What are the key properties of 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane?
2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-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 2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane is sourced from PubChem (CID 126764492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).