1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene

C19H23F3O — CID 18689199

IUPAC1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESC/C=C/C=C/COC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3O/c1-2-3-4-5-14-23-18-12-8-16(9-13-18)15-6-10-17(11-7-15)19(20,21)22/h2-7,10-11,16,18H,8-9,12-14H2,1H3/b3-2+,5-4+
InChIKeyWWNMHEPUCIZUDA-MQQKCMAXSA-N
MW324.39 g/mol
LogP5.88
Rot. Bonds5

About 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 18689199) has the molecular formula C19H23F3O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID18689199
Molecular FormulaC19H23F3O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESC/C=C/C=C/COC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3O/c1-2-3-4-5-14-23-18-12-8-16(9-13-18)15-6-10-17(11-7-15)19(20,21)22/h2-7,10-11,16,18H,8-9,12-14H2,1H3/b3-2+,5-4+
InChIKeyWWNMHEPUCIZUDA-MQQKCMAXSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene (CID 18689199) is 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene is C/C=C/C=C/COC1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is WWNMHEPUCIZUDA-MQQKCMAXSA-N. The full InChI is InChI=1S/C19H23F3O/c1-2-3-4-5-14-23-18-12-8-16(9-13-18)15-6-10-17(11-7-15)19(20,21)22/h2-7,10-11,16,18H,8-9,12-14H2,1H3/b3-2+,5-4+.
What are the key properties of 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 324.39 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 18689199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).