1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene

C28H37F — CID 54557807

IUPAC1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(CCCC=CCCF)CC3)cc2)cc1
InChIInChI=1S/C28H37F/c1-23-8-18-27(19-9-23)28-20-16-26(17-21-28)15-14-25-12-10-24(11-13-25)7-5-3-2-4-6-22-29/h2,4,8-9,16-21,24-25H,3,5-7,10-15,22H2,1H3
InChIKeyZOJSUWPEJJZPOC-UHFFFAOYSA-N
MW392.60 g/mol
LogP8.49
Rot. Bonds10

About 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene

1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene (PubChem CID 54557807) has the molecular formula C28H37F and a molecular weight of 392.60 g/mol. Its IUPAC name is 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene
PubChem CID54557807
Molecular FormulaC28H37F
Molecular Weight392.60 g/mol
Exact Mass392.29
IUPAC Name1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(CCCC=CCCF)CC3)cc2)cc1
InChIInChI=1S/C28H37F/c1-23-8-18-27(19-9-23)28-20-16-26(17-21-28)15-14-25-12-10-24(11-13-25)7-5-3-2-4-6-22-29/h2,4,8-9,16-21,24-25H,3,5-7,10-15,22H2,1H3
InChIKeyZOJSUWPEJJZPOC-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene?
The IUPAC name of 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene (CID 54557807) is 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(CCC3CCC(CCCC=CCCF)CC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene?
The InChIKey is ZOJSUWPEJJZPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F/c1-23-8-18-27(19-9-23)28-20-16-26(17-21-28)15-14-25-12-10-24(11-13-25)7-5-3-2-4-6-22-29/h2,4,8-9,16-21,24-25H,3,5-7,10-15,22H2,1H3.
What are the key properties of 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene?
1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene has a molecular weight of 392.60 g/mol, XLogP of 8.49, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene is sourced from PubChem (CID 54557807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).