1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane

C21H33F3 — CID 89134859

IUPAC1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/CCCCC(F)(F)F)CC2)CC1
InChIInChI=1S/C21H33F3/c1-2-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-3-4-6-16-21(22,23)24/h2,5,7,17-20H,1,3-4,6,8-16H2/b7-5+
InChIKeyJXHPPAIJJFXVJA-FNORWQNLSA-N
MW342.49 g/mol
LogP7.46
Rot. Bonds7

About 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane

1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane (PubChem CID 89134859) has the molecular formula C21H33F3 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane
PubChem CID89134859
Molecular FormulaC21H33F3
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/CCCCC(F)(F)F)CC2)CC1
InChIInChI=1S/C21H33F3/c1-2-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-3-4-6-16-21(22,23)24/h2,5,7,17-20H,1,3-4,6,8-16H2/b7-5+
InChIKeyJXHPPAIJJFXVJA-FNORWQNLSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-4-[4-[(E)-5,5,5-trifluoropent-1-enyl]cyclohexyl]cyclohexane
CID 139983585
1-cyclohexyl-4-hexa-1,5-dienylcyclohexane
CID 57115244
8,8,8-trifluorooct-1-ene
CID 11008282
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
CID 138567412
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 158217537
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane
CID 159275982
[(E)-hex-1-enyl]cyclopropane
CID 5352188
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19695440

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane (CID 89134859) is 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(/C=C/CCCCC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is JXHPPAIJJFXVJA-FNORWQNLSA-N. The full InChI is InChI=1S/C21H33F3/c1-2-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-3-4-6-16-21(22,23)24/h2,5,7,17-20H,1,3-4,6,8-16H2/b7-5+.
What are the key properties of 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane?
1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 342.49 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[(E)-7,7,7-trifluorohept-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 89134859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).