2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene

C24H27F — CID 21136689

IUPAC2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
SMILESCc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1
InChIInChI=1S/C24H27F/c1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21/h5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyNVPJQOPMXZKQTA-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.29
Rot. Bonds3

About 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene

2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene (PubChem CID 21136689) has the molecular formula C24H27F and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
PubChem CID21136689
Molecular FormulaC24H27F
Molecular Weight334.48 g/mol
Exact Mass334.21
IUPAC Name2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
SMILESCc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1
InChIInChI=1S/C24H27F/c1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21/h5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyNVPJQOPMXZKQTA-UHFFFAOYSA-N
XLogP6.29
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 ≤ 56.29
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-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
CID 163541849
5-[2-[4-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]-1,2,3-trimethylbenzene
CID 21360213
4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene
CID 89022904
6-ethyl-1-fluoro-2-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876172
4-chloro-2-fluoro-1-[2-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139807569
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
1-fluoro-6-[2-(4-methylcyclohexyl)ethyl]-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139876960
6-[2-(4-ethenylcyclohexyl)ethyl]-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
CID 139877207
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethynyl]benzene;1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexanecarbonyl)oxybenzoate
CID 159008864
4-chloro-1-[2-[4-(2-cyclohexylethyl)phenyl]ethynyl]-2-fluorobenzene
CID 139807515
2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1-prop-1-ynylbenzene
CID 18653628
2-fluoro-4-(4-propylcyclohexyl)-1-[2-(4-propylphenyl)ethynyl]benzene
CID 14365889

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene?
The IUPAC name of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene (CID 21136689) is 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene.
What is the SMILES notation for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene?
The canonical SMILES for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene is Cc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene?
The InChIKey is NVPJQOPMXZKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F/c1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(25)17-22)15-13-21-9-5-19(2)6-10-21/h5-6,9-10,14,16-18,20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene?
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene has a molecular weight of 334.48 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene is sourced from PubChem (CID 21136689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).