4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene

C24H24F2 — CID 54248384

IUPAC4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene
SMILESCCc1ccc(C2CCC(C=CC#Cc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C24H24F2/c1-2-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-3-4-6-20-11-16-23(25)24(26)17-20/h3,5,7-8,11-13,16-17,19,22H,2,9-10,14-15H2,1H3
InChIKeyQUYMBDUHLRWLCW-UHFFFAOYSA-N
MW350.45 g/mol
LogP6.41
Rot. Bonds3

About 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene

4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene (PubChem CID 54248384) has the molecular formula C24H24F2 and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene
PubChem CID54248384
Molecular FormulaC24H24F2
Molecular Weight350.45 g/mol
Exact Mass350.18
IUPAC Name4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene
SMILESCCc1ccc(C2CCC(C=CC#Cc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C24H24F2/c1-2-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-3-4-6-20-11-16-23(25)24(26)17-20/h3,5,7-8,11-13,16-17,19,22H,2,9-10,14-15H2,1H3
InChIKeyQUYMBDUHLRWLCW-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 56.41
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

1-butyl-4-[4-[(E)-4-(4-ethylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657209
1-ethyl-4-[4-[(E)-4-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657401
1-ethyl-4-[(E)-4-[4-(4-propoxyphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657214
2-fluoro-4-[(E)-4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzonitrile
CID 18657103
2-fluoro-4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzonitrile
CID 54307762
2,6-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]but-3-en-1-ynyl]benzonitrile
CID 54427913
1-fluoro-4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54283016
1-butyl-4-[4-[(E)-4-(4-propylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657294
1-(4-ethoxycyclohexyl)-4-[4-(4-methylcyclohexyl)but-3-en-1-ynyl]benzene
CID 54117742
1-butyl-4-[(E)-4-[4-(4-pentoxyphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657156
1-[(E)-4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657205
1-[(E)-4-[4-[(E)-but-2-enyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657204

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene (CID 54248384) is 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene is CCc1ccc(C2CCC(C=CC#Cc3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene?
The InChIKey is QUYMBDUHLRWLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2/c1-2-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-3-4-6-20-11-16-23(25)24(26)17-20/h3,5,7-8,11-13,16-17,19,22H,2,9-10,14-15H2,1H3.
What are the key properties of 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene?
4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene has a molecular weight of 350.45 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethylphenyl)cyclohexyl]but-3-en-1-ynyl]-1,2-difluorobenzene is sourced from PubChem (CID 54248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).