1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene

C26H28F2 — CID 123597493

IUPAC1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(C(C)c3c(F)cc(CCC)cc3F)cc2)cc1
InChIInChI=1S/C26H28F2/c1-4-6-19-8-10-22(11-9-19)23-14-12-21(13-15-23)18(3)26-24(27)16-20(7-5-2)17-25(26)28/h8-18H,4-7H2,1-3H3
InChIKeyWWQUPFAXDNQGPG-UHFFFAOYSA-N
MW378.51 g/mol
LogP7.69
Rot. Bonds7

About 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene

1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene (PubChem CID 123597493) has the molecular formula C26H28F2 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene
PubChem CID123597493
Molecular FormulaC26H28F2
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(C(C)c3c(F)cc(CCC)cc3F)cc2)cc1
InChIInChI=1S/C26H28F2/c1-4-6-19-8-10-22(11-9-19)23-14-12-21(13-15-23)18(3)26-24(27)16-20(7-5-2)17-25(26)28/h8-18H,4-7H2,1-3H3
InChIKeyWWQUPFAXDNQGPG-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2-fluoro-4-isothiocyanato-1-[4-[1-(4-propylphenyl)ethyl]phenyl]benzene
CID 88866150
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
CID 173386204
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
1-methyl-4-(4-propylphenyl)benzene
CID 157416879

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The IUPAC name of 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene (CID 123597493) is 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The canonical SMILES for 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene is CCCc1ccc(-c2ccc(C(C)c3c(F)cc(CCC)cc3F)cc2)cc1.
What is the InChIKey of 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene?
The InChIKey is WWQUPFAXDNQGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2/c1-4-6-19-8-10-22(11-9-19)23-14-12-21(13-15-23)18(3)26-24(27)16-20(7-5-2)17-25(26)28/h8-18H,4-7H2,1-3H3.
What are the key properties of 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene?
1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene has a molecular weight of 378.51 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene is sourced from PubChem (CID 123597493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).