1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene

C21H18F2 — CID 169027138

IUPAC1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)18-11-9-17(13-21(18)23)19-10-4-14(2)12-20(19)22/h4-13H,3H2,1-2H3
InChIKeyGQABIPRTSQOQMP-UHFFFAOYSA-N
MW308.37 g/mol
LogP6.17
Rot. Bonds3

About 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene

1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene (PubChem CID 169027138) has the molecular formula C21H18F2 and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
PubChem CID169027138
Molecular FormulaC21H18F2
Molecular Weight308.37 g/mol
Exact Mass308.14
IUPAC Name1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)18-11-9-17(13-21(18)23)19-10-4-14(2)12-20(19)22/h4-13H,3H2,1-2H3
InChIKeyGQABIPRTSQOQMP-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
CID 140891747
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene?
The IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene (CID 169027138) is 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene is CCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene?
The InChIKey is GQABIPRTSQOQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)18-11-9-17(13-21(18)23)19-10-4-14(2)12-20(19)22/h4-13H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene?
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene has a molecular weight of 308.37 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene is sourced from PubChem (CID 169027138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).