4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

C22H21F — CID 129263989

IUPAC4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1
InChIInChI=1S/C22H21F/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23/h5-15H,3-4H2,1-2H3
InChIKeyOWGCIWBUWCNCJM-UHFFFAOYSA-N
MW304.41 g/mol
LogP6.28
Rot. Bonds4

About 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (PubChem CID 129263989) has the molecular formula C22H21F and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
PubChem CID129263989
Molecular FormulaC22H21F
Molecular Weight304.41 g/mol
Exact Mass304.16
IUPAC Name4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1
InChIInChI=1S/C22H21F/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23/h5-15H,3-4H2,1-2H3
InChIKeyOWGCIWBUWCNCJM-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
CID 140891747
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The IUPAC name of 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (CID 129263989) is 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.
What is the SMILES notation for 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The canonical SMILES for 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is CCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1.
What is the InChIKey of 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The InChIKey is OWGCIWBUWCNCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23/h5-15H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene has a molecular weight of 304.41 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is sourced from PubChem (CID 129263989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).