4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene

C24H27F — CID 14365891

IUPAC4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
SMILESCCc1ccc(C#Cc2ccc(C3CCC(CC)CC3)cc2F)cc1
InChIInChI=1S/C24H27F/c1-3-18-5-7-20(8-6-18)11-14-22-15-16-23(17-24(22)25)21-12-9-19(4-2)10-13-21/h5-8,15-17,19,21H,3-4,9-10,12-13H2,1-2H3
InChIKeyUJFGDMLQGHBOGJ-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.47
Rot. Bonds3

About 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene

4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene (PubChem CID 14365891) has the molecular formula C24H27F and a molecular weight of 334.48 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
PubChem CID14365891
Molecular FormulaC24H27F
Molecular Weight334.48 g/mol
Exact Mass334.21
IUPAC Name4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
SMILESCCc1ccc(C#Cc2ccc(C3CCC(CC)CC3)cc2F)cc1
InChIInChI=1S/C24H27F/c1-3-18-5-7-20(8-6-18)11-14-22-15-16-23(17-24(22)25)21-12-9-19(4-2)10-13-21/h5-8,15-17,19,21H,3-4,9-10,12-13H2,1-2H3
InChIKeyUJFGDMLQGHBOGJ-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.47
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

2-fluoro-4-(4-propylcyclohexyl)-1-[2-(4-propylphenyl)ethynyl]benzene
CID 14365889
4-(4-ethylcyclohexyl)-2-fluoro-1-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247636
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
6-[2-[4-(4-butylcyclohexyl)-2-fluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139859513
1-[2-(4-ethylphenyl)ethynyl]-2-fluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]benzene
CID 22112309
(4aR,6R,8aR)-2-ethyl-6-[4-[2-(4-ethylphenyl)ethynyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809788
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]naphthalene
CID 139851303
1,2-difluoro-4-[2-[2-fluoro-4-(3,3,5,5-tetradeuterio-4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 58839853
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-6-(4-ethylcyclohexyl)-1-fluoronaphthalene
CID 139851363
2-fluoro-1-[2-[4-(6-methoxyhexoxy)phenyl]ethynyl]-4-(4-prop-2-enylcyclohexyl)benzene
CID 90049395
1-butyl-4-[2-[4-[2-(4-ethylphenyl)ethynyl]-3-fluorophenyl]ethynyl]-2-fluorobenzene
CID 22112421

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene?
The IUPAC name of 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene (CID 14365891) is 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene?
The canonical SMILES for 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene is CCc1ccc(C#Cc2ccc(C3CCC(CC)CC3)cc2F)cc1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene?
The InChIKey is UJFGDMLQGHBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F/c1-3-18-5-7-20(8-6-18)11-14-22-15-16-23(17-24(22)25)21-12-9-19(4-2)10-13-21/h5-8,15-17,19,21H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene?
4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene has a molecular weight of 334.48 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene is sourced from PubChem (CID 14365891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).