1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene

C25H37FO — CID 19798776

IUPAC1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
SMILESCCCCCOc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C25H37FO/c1-2-3-4-19-27-25-15-13-24(14-16-25)23-11-9-22(10-12-23)21-7-5-20(6-8-21)17-18-26/h13-18,20-23H,2-12,19H2,1H3/b18-17+
InChIKeyRTGVGTVOUIIKDB-ISLYRVAYSA-N
MW372.57 g/mol
LogP7.82
Rot. Bonds8

About 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene

1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene (PubChem CID 19798776) has the molecular formula C25H37FO and a molecular weight of 372.57 g/mol. Its IUPAC name is 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene.

Molecular Properties

Compound Name1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
PubChem CID19798776
Molecular FormulaC25H37FO
Molecular Weight372.57 g/mol
Exact Mass372.28
IUPAC Name1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
SMILESCCCCCOc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C25H37FO/c1-2-3-4-19-27-25-15-13-24(14-16-25)23-11-9-22(10-12-23)21-7-5-20(6-8-21)17-18-26/h13-18,20-23H,2-12,19H2,1H3/b18-17+
InChIKeyRTGVGTVOUIIKDB-ISLYRVAYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 57.82
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-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
CID 67859212
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-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-[4-[2-[4-(3-fluoroprop-2-enyl)cyclohexyl]ethyl]cyclohexyl]-4-hexoxybenzene
CID 54572382
1-(pentoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677329
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene?
The IUPAC name of 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene (CID 19798776) is 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene.
What is the SMILES notation for 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene?
The canonical SMILES for 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene is CCCCCOc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene?
The InChIKey is RTGVGTVOUIIKDB-ISLYRVAYSA-N. The full InChI is InChI=1S/C25H37FO/c1-2-3-4-19-27-25-15-13-24(14-16-25)23-11-9-22(10-12-23)21-7-5-20(6-8-21)17-18-26/h13-18,20-23H,2-12,19H2,1H3/b18-17+.
What are the key properties of 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene?
1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene has a molecular weight of 372.57 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene is sourced from PubChem (CID 19798776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).