1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene

C19H27F — CID 19798701

IUPAC1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(/C=C/F)CC2)cc1
InChIInChI=1S/C19H27F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h6-7,10-11,14-15,17,19H,2-5,8-9,12-13H2,1H3/b15-14+
InChIKeyLNJXSHBBAZFRIJ-CCEZHUSRSA-N
MW274.42 g/mol
LogP6.18
Rot. Bonds6

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

1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene (PubChem CID 19798701) has the molecular formula C19H27F and a molecular weight of 274.42 g/mol. Its IUPAC name is 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene.

Molecular Properties

Compound Name1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
PubChem CID19798701
Molecular FormulaC19H27F
Molecular Weight274.42 g/mol
Exact Mass274.21
IUPAC Name1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(/C=C/F)CC2)cc1
InChIInChI=1S/C19H27F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h6-7,10-11,14-15,17,19H,2-5,8-9,12-13H2,1H3/b15-14+
InChIKeyLNJXSHBBAZFRIJ-CCEZHUSRSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.42
LogP ≤ 56.18
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-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 54552630
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene?
The IUPAC name of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene (CID 19798701) is 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene.
What is the SMILES notation for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene?
The canonical SMILES for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene is CCCCCc1ccc(C2CCC(/C=C/F)CC2)cc1.
What is the InChIKey of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene?
The InChIKey is LNJXSHBBAZFRIJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H27F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h6-7,10-11,14-15,17,19H,2-5,8-9,12-13H2,1H3/b15-14+.
What are the key properties of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene?
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene has a molecular weight of 274.42 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene is sourced from PubChem (CID 19798701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).