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

C25H18F2 — CID 22112244

IUPAC1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C25H18F2/c1-3-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)15-17-23-16-4-18(2)24(26)25(23)27/h4-8,11-14,16H,3H2,1-2H3
InChIKeyBZUQZZINJLVORC-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.64
Rot. Bonds1

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

1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene (PubChem CID 22112244) has the molecular formula C25H18F2 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
PubChem CID22112244
Molecular FormulaC25H18F2
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
SMILESCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C25H18F2/c1-3-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)15-17-23-16-4-18(2)24(26)25(23)27/h4-8,11-14,16H,3H2,1-2H3
InChIKeyBZUQZZINJLVORC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
CID 67865174
1-[2-(4-ethylphenyl)ethynyl]-2-fluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]benzene
CID 22112309
1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
CID 102146472
2,3-difluoro-1-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene
CID 69096697
2,4-dimethyl-1-[2-(4-methylphenyl)ethynyl]benzene;1-[2-(4-ethylphenyl)ethynyl]-2,4-dimethylbenzene
CID 158296087
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
CID 139875710
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]naphthalene
CID 139850630
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
2-fluoro-1-[2-(3-fluoro-4-methylphenyl)ethynyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 22112209
1-bromo-4-[2-(4-ethylphenyl)ethynyl]-2,5-difluorobenzene
CID 130454231

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene (CID 22112244) is 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene is CCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3F)cc2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is BZUQZZINJLVORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2/c1-3-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)15-17-23-16-4-18(2)24(26)25(23)27/h4-8,11-14,16H,3H2,1-2H3.
What are the key properties of 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene?
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 356.42 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 22112244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).