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

C22H25F — CID 19780938

IUPAC1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(C3CCC(/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C22H25F/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/h3-4,7-8,11-16,18,20H,2,5-6,9-10H2,1H3/b16-15+
InChIKeyHFRDOFSTGIQMEO-FOCLMDBBSA-N
MW308.44 g/mol
LogP6.67
Rot. Bonds4

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

1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene (PubChem CID 19780938) has the molecular formula C22H25F and a molecular weight of 308.44 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
PubChem CID19780938
Molecular FormulaC22H25F
Molecular Weight308.44 g/mol
Exact Mass308.19
IUPAC Name1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(C3CCC(/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C22H25F/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/h3-4,7-8,11-16,18,20H,2,5-6,9-10H2,1H3/b16-15+
InChIKeyHFRDOFSTGIQMEO-FOCLMDBBSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
3-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 54411037
1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538959

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene (CID 19780938) is 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]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]phenyl]benzene?
The InChIKey is HFRDOFSTGIQMEO-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H25F/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/h3-4,7-8,11-16,18,20H,2,5-6,9-10H2,1H3/b16-15+.
What are the key properties of 1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene has a molecular weight of 308.44 g/mol, XLogP of 6.67, 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]phenyl]benzene is sourced from PubChem (CID 19780938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).