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

C20H28F2 — CID 19780950

IUPAC1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
SMILESF/C=C/CCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,12-18H,1-5,7-11H2/b16-6+
InChIKeyAPGUJZBEEYEVAH-OMCISZLKSA-N
MW306.44 g/mol
LogP6.92
Rot. Bonds8

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

1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene (PubChem CID 19780950) has the molecular formula C20H28F2 and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
PubChem CID19780950
Molecular FormulaC20H28F2
Molecular Weight306.44 g/mol
Exact Mass306.22
IUPAC Name1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
SMILESF/C=C/CCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,12-18H,1-5,7-11H2/b16-6+
InChIKeyAPGUJZBEEYEVAH-OMCISZLKSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.44
LogP ≤ 56.92
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-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
CID 19781034
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-(3-fluoroprop-2-enyl)-4-(4-hexylcyclohexyl)benzene
CID 54219103
2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
CID 54368056
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene (CID 19780950) is 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene is F/C=C/CCCCCCC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene?
The InChIKey is APGUJZBEEYEVAH-OMCISZLKSA-N. The full InChI is InChI=1S/C20H28F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,12-18H,1-5,7-11H2/b16-6+.
What are the key properties of 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene?
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene has a molecular weight of 306.44 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene is sourced from PubChem (CID 19780950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).