2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid

C24H33FO2 — CID 67651623

IUPAC2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
SMILESCC=C(C(=O)O)C1CCC(C2CCC(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H33FO2/c1-2-23(24(26)27)21-13-11-20(12-14-21)19-9-5-17(6-10-19)3-4-18-7-15-22(25)16-8-18/h2,7-8,15-17,19-21H,3-6,9-14H2,1H3,(H,26,27)
InChIKeyWFKALPURXONXEF-UHFFFAOYSA-N
MW372.52 g/mol
LogP6.40
Rot. Bonds6

About 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid

2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid (PubChem CID 67651623) has the molecular formula C24H33FO2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
PubChem CID67651623
Molecular FormulaC24H33FO2
Molecular Weight372.52 g/mol
Exact Mass372.25
IUPAC Name2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
SMILESCC=C(C(=O)O)C1CCC(C2CCC(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H33FO2/c1-2-23(24(26)27)21-13-11-20(12-14-21)19-9-5-17(6-10-19)3-4-18-7-15-22(25)16-8-18/h2,7-8,15-17,19-21H,3-6,9-14H2,1H3,(H,26,27)
InChIKeyWFKALPURXONXEF-UHFFFAOYSA-N
XLogP6.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[2-(4-chlorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67649057
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-1-(2-methylpropyl)silinane
CID 54111665
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
CID 67859119
CID 23364708
CID 23364708
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 18997894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid?
The IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid (CID 67651623) is 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid.
What is the SMILES notation for 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid?
The canonical SMILES for 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid is CC=C(C(=O)O)C1CCC(C2CCC(CCc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid?
The InChIKey is WFKALPURXONXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FO2/c1-2-23(24(26)27)21-13-11-20(12-14-21)19-9-5-17(6-10-19)3-4-18-7-15-22(25)16-8-18/h2,7-8,15-17,19-21H,3-6,9-14H2,1H3,(H,26,27).
What are the key properties of 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid?
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid has a molecular weight of 372.52 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid is sourced from PubChem (CID 67651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).