1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene

C21H18F2 — CID 147217763

IUPAC1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-4-14(2)20(22)21(19)23/h4-13H,3H2,1-2H3
InChIKeyCGLNGFMZUCXWAV-UHFFFAOYSA-N
MW308.37 g/mol
LogP6.17
Rot. Bonds3

About 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene

1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 147217763) has the molecular formula C21H18F2 and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
PubChem CID147217763
Molecular FormulaC21H18F2
Molecular Weight308.37 g/mol
Exact Mass308.14
IUPAC Name1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-4-14(2)20(22)21(19)23/h4-13H,3H2,1-2H3
InChIKeyCGLNGFMZUCXWAV-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

4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
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
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
CID 67865174
1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 123653432
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene (CID 147217763) is 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene is CCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is CGLNGFMZUCXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-4-14(2)20(22)21(19)23/h4-13H,3H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene?
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene 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-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 147217763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).