4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene

C22H17F — CID 140891747

IUPAC4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
SMILESC#Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
InChIInChI=1S/C22H17F/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19/h2,5-15H,3H2,1H3
InChIKeyPVNYIZVNPRRJTK-UHFFFAOYSA-N
MW300.38 g/mol
LogP5.70
Rot. Bonds3

About 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene

4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene (PubChem CID 140891747) has the molecular formula C22H17F and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
PubChem CID140891747
Molecular FormulaC22H17F
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
SMILESC#Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
InChIInChI=1S/C22H17F/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19/h2,5-15H,3H2,1H3
InChIKeyPVNYIZVNPRRJTK-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 55.70
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

4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
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-ethynylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 89374985
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
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
2-[2-[4-(4-ethylphenyl)-3-fluorophenyl]ethynyl]-1,3-difluoro-5-propylbenzene
CID 67683089
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247520

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene?
The IUPAC name of 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene (CID 140891747) is 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene is C#Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene?
The InChIKey is PVNYIZVNPRRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19/h2,5-15H,3H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene?
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene has a molecular weight of 300.38 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene is sourced from PubChem (CID 140891747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).