4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene

C24H25F — CID 89022904

IUPAC4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene
SMILESC=CC1CCC(CCc2ccc(C#Cc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C24H25F/c1-2-19-8-10-21(11-9-19)12-13-22-15-17-23(24(25)18-22)16-14-20-6-4-3-5-7-20/h2-7,15,17-19,21H,1,8-13H2
InChIKeyOCDOMSQZVQEYRQ-UHFFFAOYSA-N
MW332.46 g/mol
LogP6.15
Rot. Bonds4

About 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene

4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene (PubChem CID 89022904) has the molecular formula C24H25F and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene.

Molecular Properties

Compound Name4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene
PubChem CID89022904
Molecular FormulaC24H25F
Molecular Weight332.46 g/mol
Exact Mass332.19
IUPAC Name4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene
SMILESC=CC1CCC(CCc2ccc(C#Cc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C24H25F/c1-2-19-8-10-21(11-9-19)12-13-22-15-17-23(24(25)18-22)16-14-20-6-4-3-5-7-20/h2-7,15,17-19,21H,1,8-13H2
InChIKeyOCDOMSQZVQEYRQ-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-ethenylcyclohexyl)ethyl]-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
CID 139877207
2-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876531
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
CID 21136689
6-[2-(4-ethenylcyclohexyl)ethyl]-1-fluoro-2-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 139876629
4-chloro-1-[2-[4-(2-cyclohexylethyl)phenyl]ethynyl]-2-fluorobenzene
CID 139807515
4-chloro-2-fluoro-1-[2-[4-[2-[4-[(E)-prop-1-enoxy]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 139807608
4-chloro-2-fluoro-1-[2-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139807569
1-[2-[4-[2-(4-but-1-ynylcyclohexyl)ethyl]phenyl]ethynyl]-4-chloro-2-fluorobenzene
CID 139807519
2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
CID 18653628
2-[4-[2-(4-but-3-enyl-2-fluorophenyl)ethynyl]-2-fluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869029
6-but-3-enyl-1-fluoro-2-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876482
2-fluoro-4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]benzonitrile
CID 19695389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene?
The IUPAC name of 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene (CID 89022904) is 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene.
What is the SMILES notation for 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene?
The canonical SMILES for 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene is C=CC1CCC(CCc2ccc(C#Cc3ccccc3)c(F)c2)CC1.
What is the InChIKey of 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene?
The InChIKey is OCDOMSQZVQEYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F/c1-2-19-8-10-21(11-9-19)12-13-22-15-17-23(24(25)18-22)16-14-20-6-4-3-5-7-20/h2-7,15,17-19,21H,1,8-13H2.
What are the key properties of 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene?
4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene has a molecular weight of 332.46 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene is sourced from PubChem (CID 89022904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).