1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

C32H45F — CID 21265136

IUPAC1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCCCCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H45F/c1-2-6-25-8-12-27(13-9-25)29-16-20-31(21-17-29)32-22-18-30(19-23-32)28-14-10-26(11-15-28)7-4-3-5-24-33/h10-11,14-15,18-19,22-23,25,27,29,31H,2-9,12-13,16-17,20-21,24H2,1H3
InChIKeyCXVOZYAKXRIEDN-UHFFFAOYSA-N
MW448.71 g/mol
LogP9.92
Rot. Bonds10

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

1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 21265136) has the molecular formula C32H45F and a molecular weight of 448.71 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
PubChem CID21265136
Molecular FormulaC32H45F
Molecular Weight448.71 g/mol
Exact Mass448.35
IUPAC Name1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCCCCF)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H45F/c1-2-6-25-8-12-27(13-9-25)29-16-20-31(21-17-29)32-22-18-30(19-23-32)28-14-10-26(11-15-28)7-4-3-5-24-33/h10-11,14-15,18-19,22-23,25,27,29,31H,2-9,12-13,16-17,20-21,24H2,1H3
InChIKeyCXVOZYAKXRIEDN-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 59.92
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-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (CID 21265136) is 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is CCCC1CCC(C2CCC(c3ccc(-c4ccc(CCCCCF)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?
The InChIKey is CXVOZYAKXRIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F/c1-2-6-25-8-12-27(13-9-25)29-16-20-31(21-17-29)32-22-18-30(19-23-32)28-14-10-26(11-15-28)7-4-3-5-24-33/h10-11,14-15,18-19,22-23,25,27,29,31H,2-9,12-13,16-17,20-21,24H2,1H3.
What are the key properties of 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 448.71 g/mol, XLogP of 9.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 21265136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).