1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene

C20H29F — CID 19781015

IUPAC1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
SMILESCCCCCCC1CCC(c2ccc(/C=C/F)cc2)CC1
InChIInChI=1S/C20H29F/c1-2-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21/h9-10,13-17,19H,2-8,11-12H2,1H3/b16-15+
InChIKeyVELMKKPTSPPHPN-FOCLMDBBSA-N
MW288.45 g/mol
LogP6.87
Rot. Bonds7

About 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene

1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene (PubChem CID 19781015) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
PubChem CID19781015
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Name1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
SMILESCCCCCCC1CCC(c2ccc(/C=C/F)cc2)CC1
InChIInChI=1S/C20H29F/c1-2-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21/h9-10,13-17,19H,2-8,11-12H2,1H3/b16-15+
InChIKeyVELMKKPTSPPHPN-FOCLMDBBSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.87
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-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832
1-(3-fluoroprop-2-enyl)-4-(4-hexylcyclohexyl)benzene
CID 54219103
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
CID 173068307

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene?
The IUPAC name of 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene (CID 19781015) is 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene.
What is the SMILES notation for 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene?
The canonical SMILES for 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene is CCCCCCC1CCC(c2ccc(/C=C/F)cc2)CC1.
What is the InChIKey of 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene?
The InChIKey is VELMKKPTSPPHPN-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H29F/c1-2-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21/h9-10,13-17,19H,2-8,11-12H2,1H3/b16-15+.
What are the key properties of 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene?
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene has a molecular weight of 288.45 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene is sourced from PubChem (CID 19781015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).