1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene

C25H24F4 — CID 58140627

IUPAC1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(CC)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C25H24F4/c1-3-5-19-12-13-20(24(28)23(19)27)11-8-16-6-9-18(10-7-16)21-15-14-17(4-2)22(26)25(21)29/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyXRBFGXBOOCTJEV-UHFFFAOYSA-N
MW400.46 g/mol
LogP7.21
Rot. Bonds7

About 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene

1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 58140627) has the molecular formula C25H24F4 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
PubChem CID58140627
Molecular FormulaC25H24F4
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(CC)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C25H24F4/c1-3-5-19-12-13-20(24(28)23(19)27)11-8-16-6-9-18(10-7-16)21-15-14-17(4-2)22(26)25(21)29/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyXRBFGXBOOCTJEV-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 77470915
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
6-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethyl]-1,2,3-trifluoronaphthalene
CID 118858657
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
1-[4-[2-(4-ethyl-3-fluorophenyl)ethynyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 58141688
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene (CID 58140627) is 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene is CCCc1ccc(CCc2ccc(-c3ccc(CC)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is XRBFGXBOOCTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4/c1-3-5-19-12-13-20(24(28)23(19)27)11-8-16-6-9-18(10-7-16)21-15-14-17(4-2)22(26)25(21)29/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3.
What are the key properties of 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene?
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 400.46 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 58140627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).