1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene

C26H33F — CID 67864648

IUPAC1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(C/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C26H33F/c1-2-3-4-6-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-20-27/h5,8-9,12-13,16-20,22,24H,2-4,6-7,10-11,14-15H2,1H3/b20-5+
InChIKeyWIMQEBHZAADPPC-DENHBWNVSA-N
MW364.55 g/mol
LogP8.23
Rot. Bonds8

About 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene

1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene (PubChem CID 67864648) has the molecular formula C26H33F and a molecular weight of 364.55 g/mol. Its IUPAC name is 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
PubChem CID67864648
Molecular FormulaC26H33F
Molecular Weight364.55 g/mol
Exact Mass364.26
IUPAC Name1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(C/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C26H33F/c1-2-3-4-6-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-20-27/h5,8-9,12-13,16-20,22,24H,2-4,6-7,10-11,14-15H2,1H3/b20-5+
InChIKeyWIMQEBHZAADPPC-DENHBWNVSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 58.23
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-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
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-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene (CID 67864648) is 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(C3CCC(C/C=C/F)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
The InChIKey is WIMQEBHZAADPPC-DENHBWNVSA-N. The full InChI is InChI=1S/C26H33F/c1-2-3-4-6-21-8-12-23(13-9-21)25-16-18-26(19-17-25)24-14-10-22(11-15-24)7-5-20-27/h5,8-9,12-13,16-20,22,24H,2-4,6-7,10-11,14-15H2,1H3/b20-5+.
What are the key properties of 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene?
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene has a molecular weight of 364.55 g/mol, XLogP of 8.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 67864648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).