1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine

C15H24F4N2 — CID 167025555

IUPAC1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(=C/CF)/C=C(\CN1CCC(N(C)C)CC1)C(F)(F)F
InChIInChI=1S/C15H24F4N2/c1-12(4-7-16)10-13(15(17,18)19)11-21-8-5-14(6-9-21)20(2)3/h4,10,14H,5-9,11H2,1-3H3/b12-4-,13-10+
InChIKeyRMGSIOBDVORKMC-QDFYCOOBSA-N
MW308.36 g/mol
LogP3.42
Rot. Bonds5

About 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine

1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 167025555) has the molecular formula C15H24F4N2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine
PubChem CID167025555
Molecular FormulaC15H24F4N2
Molecular Weight308.36 g/mol
Exact Mass308.19
IUPAC Name1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine
SMILESCC(=C/CF)/C=C(\CN1CCC(N(C)C)CC1)C(F)(F)F
InChIInChI=1S/C15H24F4N2/c1-12(4-7-16)10-13(15(17,18)19)11-21-8-5-14(6-9-21)20(2)3/h4,10,14H,5-9,11H2,1-3H3/b12-4-,13-10+
InChIKeyRMGSIOBDVORKMC-QDFYCOOBSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine (CID 167025555) is 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine is CC(=C/CF)/C=C(\CN1CCC(N(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is RMGSIOBDVORKMC-QDFYCOOBSA-N. The full InChI is InChI=1S/C15H24F4N2/c1-12(4-7-16)10-13(15(17,18)19)11-21-8-5-14(6-9-21)20(2)3/h4,10,14H,5-9,11H2,1-3H3/b12-4-,13-10+.
What are the key properties of 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine?
1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 308.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-fluoro-4-methyl-2-(trifluoromethyl)hexa-2,4-dienyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167025555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).