6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile

C18H24F3N — CID 68909420

IUPAC6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
SMILESC/C=C/CCCC(CCC)C1(C(F)(F)F)C=CC=CC1C#N
InChIInChI=1S/C18H24F3N/c1-3-5-6-7-11-15(10-4-2)17(18(19,20)21)13-9-8-12-16(17)14-22/h3,5,8-9,12-13,15-16H,4,6-7,10-11H2,1-2H3/b5-3+
InChIKeyIJHHBAKYRVXUAB-HWKANZROSA-N
MW311.39 g/mol
LogP5.96
Rot. Bonds7

About 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile

6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 68909420) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID68909420
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
SMILESC/C=C/CCCC(CCC)C1(C(F)(F)F)C=CC=CC1C#N
InChIInChI=1S/C18H24F3N/c1-3-5-6-7-11-15(10-4-2)17(18(19,20)21)13-9-8-12-16(17)14-22/h3,5,8-9,12-13,15-16H,4,6-7,10-11H2,1-2H3/b5-3+
InChIKeyIJHHBAKYRVXUAB-HWKANZROSA-N
XLogP5.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile (CID 68909420) is 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile is C/C=C/CCCC(CCC)C1(C(F)(F)F)C=CC=CC1C#N.
What is the InChIKey of 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is IJHHBAKYRVXUAB-HWKANZROSA-N. The full InChI is InChI=1S/C18H24F3N/c1-3-5-6-7-11-15(10-4-2)17(18(19,20)21)13-9-8-12-16(17)14-22/h3,5,8-9,12-13,15-16H,4,6-7,10-11H2,1-2H3/b5-3+.
What are the key properties of 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile?
6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-dec-8-en-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 68909420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).