1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene

C26H38F2 — CID 19781034

IUPAC1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
SMILESF/C=C/CCCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H38F2/c27-20-6-4-2-1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18-26(28)19-17-25/h6,16-24H,1-5,7-15H2/b20-6+
InChIKeyMODQWVDDYKCFDR-CGOBSMCZSA-N
MW388.59 g/mol
LogP8.73
Rot. Bonds9

About 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene

1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 19781034) has the molecular formula C26H38F2 and a molecular weight of 388.59 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
PubChem CID19781034
Molecular FormulaC26H38F2
Molecular Weight388.59 g/mol
Exact Mass388.29
IUPAC Name1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
SMILESF/C=C/CCCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H38F2/c27-20-6-4-2-1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18-26(28)19-17-25/h6,16-24H,1-5,7-15H2/b20-6+
InChIKeyMODQWVDDYKCFDR-CGOBSMCZSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 58.73
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-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1,2-difluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzene
CID 19798704
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
CID 54333398
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1,2-difluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzene
CID 54546268
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-(3-fluoroprop-2-enyl)-4-(4-hexylcyclohexyl)benzene
CID 54219103
1-[4-[4-(3-chloroprop-2-enoxy)cyclohexyl]cyclohexyl]-4-fluorobenzene
CID 54534902

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene (CID 19781034) is 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene is F/C=C/CCCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is MODQWVDDYKCFDR-CGOBSMCZSA-N. The full InChI is InChI=1S/C26H38F2/c27-20-6-4-2-1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18-26(28)19-17-25/h6,16-24H,1-5,7-15H2/b20-6+.
What are the key properties of 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene?
1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 388.59 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 19781034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).