1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene

C34H49F — CID 21265277

IUPAC1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(C4CCC(CCCCCF)CC4)CC3)cc2)cc1
InChIInChI=1S/C34H49F/c1-2-3-5-8-27-10-14-29(15-11-27)31-18-22-33(23-19-31)34-24-20-32(21-25-34)30-16-12-28(13-17-30)9-6-4-7-26-35/h10-11,14-15,18-19,22-23,28,30,32,34H,2-9,12-13,16-17,20-21,24-26H2,1H3
InChIKeyIVKRMICHRFTMJH-UHFFFAOYSA-N
MW476.76 g/mol
LogP10.70
Rot. Bonds12

About 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene

1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene (PubChem CID 21265277) has the molecular formula C34H49F and a molecular weight of 476.76 g/mol. Its IUPAC name is 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
PubChem CID21265277
Molecular FormulaC34H49F
Molecular Weight476.76 g/mol
Exact Mass476.38
IUPAC Name1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(C4CCC(CCCCCF)CC4)CC3)cc2)cc1
InChIInChI=1S/C34H49F/c1-2-3-5-8-27-10-14-29(15-11-27)31-18-22-33(23-19-31)34-24-20-32(21-25-34)30-16-12-28(13-17-30)9-6-4-7-26-35/h10-11,14-15,18-19,22-23,28,30,32,34H,2-9,12-13,16-17,20-21,24-26H2,1H3
InChIKeyIVKRMICHRFTMJH-UHFFFAOYSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene (CID 21265277) is 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(C3CCC(C4CCC(CCCCCF)CC4)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The InChIKey is IVKRMICHRFTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49F/c1-2-3-5-8-27-10-14-29(15-11-27)31-18-22-33(23-19-31)34-24-20-32(21-25-34)30-16-12-28(13-17-30)9-6-4-7-26-35/h10-11,14-15,18-19,22-23,28,30,32,34H,2-9,12-13,16-17,20-21,24-26H2,1H3.
What are the key properties of 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene has a molecular weight of 476.76 g/mol, XLogP of 10.70, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 21265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).