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

C23H27F3O — CID 126765240

IUPAC2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(CC)CO3)c(F)c2F)cc1F
InChIInChI=1S/C23H27F3O/c1-3-5-6-16-8-9-17(13-20(16)24)18-10-11-19(23(26)22(18)25)21-12-7-15(4-2)14-27-21/h8-11,13,15,21H,3-7,12,14H2,1-2H3
InChIKeyHNDWDIFRJPCDQQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.99
Rot. Bonds6

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

2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane (PubChem CID 126765240) has the molecular formula C23H27F3O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane.

Molecular Properties

Compound Name2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
PubChem CID126765240
Molecular FormulaC23H27F3O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
SMILESCCCCc1ccc(-c2ccc(C3CCC(CC)CO3)c(F)c2F)cc1F
InChIInChI=1S/C23H27F3O/c1-3-5-6-16-8-9-17(13-20(16)24)18-10-11-19(23(26)22(18)25)21-12-7-15(4-2)14-27-21/h8-11,13,15,21H,3-7,12,14H2,1-2H3
InChIKeyHNDWDIFRJPCDQQ-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,3-difluoro-4-pentylphenyl)-2-fluorophenyl]-5-ethyloxane
CID 126764455
2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535595
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-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]-5-pentyloxane
CID 126764470
2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane
CID 126764492
2-[4-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 67732738
5-but-3-enyl-2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732985
2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-butyloxane
CID 126765275
2-[4-(4-ethyl-2,3-difluorophenyl)-2-fluorophenyl]-5-pentyloxane
CID 126764444
2-[4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2-fluorophenyl]-5-pentyloxane
CID 67732475
2-[4-[4-(4-but-2-enyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-ethyloxane
CID 77344166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane?
The IUPAC name of 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane (CID 126765240) is 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane.
What is the SMILES notation for 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane?
The canonical SMILES for 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane is CCCCc1ccc(-c2ccc(C3CCC(CC)CO3)c(F)c2F)cc1F.
What is the InChIKey of 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane?
The InChIKey is HNDWDIFRJPCDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O/c1-3-5-6-16-8-9-17(13-20(16)24)18-10-11-19(23(26)22(18)25)21-12-7-15(4-2)14-27-21/h8-11,13,15,21H,3-7,12,14H2,1-2H3.
What are the key properties of 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane?
2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane has a molecular weight of 376.46 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane is sourced from PubChem (CID 126765240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).