1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene

C26H39FO — CID 67859212

IUPAC1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
SMILESCCCCCCOc1ccc(C2CCC(C3CCC(C=CF)CC3)CC2)cc1
InChIInChI=1S/C26H39FO/c1-2-3-4-5-20-28-26-16-14-25(15-17-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)18-19-27/h14-19,21-24H,2-13,20H2,1H3
InChIKeyPAIDWIOACSCXTR-UHFFFAOYSA-N
MW386.60 g/mol
LogP8.21
Rot. Bonds9

About 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene

1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene (PubChem CID 67859212) has the molecular formula C26H39FO and a molecular weight of 386.60 g/mol. Its IUPAC name is 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene.

Molecular Properties

Compound Name1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
PubChem CID67859212
Molecular FormulaC26H39FO
Molecular Weight386.60 g/mol
Exact Mass386.30
IUPAC Name1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
SMILESCCCCCCOc1ccc(C2CCC(C3CCC(C=CF)CC3)CC2)cc1
InChIInChI=1S/C26H39FO/c1-2-3-4-5-20-28-26-16-14-25(15-17-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)18-19-27/h14-19,21-24H,2-13,20H2,1H3
InChIKeyPAIDWIOACSCXTR-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
1-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-4-propoxybenzene
CID 18656241
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-[4-[2-[4-(3-fluoroprop-2-enyl)cyclohexyl]ethyl]cyclohexyl]-4-hexoxybenzene
CID 54572382
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene?
The IUPAC name of 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene (CID 67859212) is 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene.
What is the SMILES notation for 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene?
The canonical SMILES for 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene is CCCCCCOc1ccc(C2CCC(C3CCC(C=CF)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene?
The InChIKey is PAIDWIOACSCXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FO/c1-2-3-4-5-20-28-26-16-14-25(15-17-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)18-19-27/h14-19,21-24H,2-13,20H2,1H3.
What are the key properties of 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene?
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene has a molecular weight of 386.60 g/mol, XLogP of 8.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene is sourced from PubChem (CID 67859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).