1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene

C22H31F — CID 19798836

IUPAC1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C22H31F/c1-2-17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)15-16-23/h3-4,7-8,15-16,18,20-22H,2,5-6,9-14H2,1H3/b16-15+
InChIKeyXYTSOOXMGMTAIN-FOCLMDBBSA-N
MW314.49 g/mol
LogP6.81
Rot. Bonds4

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

1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 19798836) has the molecular formula C22H31F and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
PubChem CID19798836
Molecular FormulaC22H31F
Molecular Weight314.49 g/mol
Exact Mass314.24
IUPAC Name1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C22H31F/c1-2-17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)15-16-23/h3-4,7-8,15-16,18,20-22H,2,5-6,9-14H2,1H3/b16-15+
InChIKeyXYTSOOXMGMTAIN-FOCLMDBBSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 54492468
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
CID 54232791
1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
CID 67859212
4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19798791
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene (CID 19798836) is 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene is CCc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is XYTSOOXMGMTAIN-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H31F/c1-2-17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)15-16-23/h3-4,7-8,15-16,18,20-22H,2,5-6,9-14H2,1H3/b16-15+.
What are the key properties of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene?
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 314.49 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 19798836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).