1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene

C24H31F3O — CID 59734847

IUPAC1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESC/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H31F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h2-3,8-9,14-21H,4-7,10-13H2,1H3/b3-2+,9-8+
InChIKeyHBCXSSBLJOMEES-VHYPUYLQSA-N
MW392.50 g/mol
LogP7.80
Rot. Bonds5

About 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene

1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 59734847) has the molecular formula C24H31F3O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
PubChem CID59734847
Molecular FormulaC24H31F3O
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESC/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H31F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h2-3,8-9,14-21H,4-7,10-13H2,1H3/b3-2+,9-8+
InChIKeyHBCXSSBLJOMEES-VHYPUYLQSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-chloroethenyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 54491632
(2E,4E)-5-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]penta-2,4-dienenitrile
CID 19613071
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
CID 160964555
2-[(E)-prop-1-enyl]-7-[4-(trifluoromethoxy)phenyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045203
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-ethyl-4-[4-[(E)-4-[4-(trifluoromethoxy)phenyl]but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657401
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
5-[4-[1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 173304482
7-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethenyl]cyclohexyl]hepta-2,4-dienenitrile
CID 54271030
1-[4-[2-[4-[(E)-6-fluorohex-1-enyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695491
1-[4-[(E)-2-[4-[difluoro-(4-fluorophenoxy)methyl]cyclohexyl]ethenyl]cyclohexyl]-4-ethylbenzene
CID 122502038

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene (CID 59734847) is 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene is C/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The InChIKey is HBCXSSBLJOMEES-VHYPUYLQSA-N. The full InChI is InChI=1S/C24H31F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h2-3,8-9,14-21H,4-7,10-13H2,1H3/b3-2+,9-8+.
What are the key properties of 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 392.50 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 59734847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).