1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine

C16H23F6NO — CID 89355258

IUPAC1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
SMILESCC(C)=C/C=C/C(OCCN1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H23F6NO/c1-13(2)7-6-8-14(15(17,18)19,16(20,21)22)24-12-11-23-9-4-3-5-10-23/h6-8H,3-5,9-12H2,1-2H3/b8-6+
InChIKeyYIXHMYMKSVWSCW-SOFGYWHQSA-N
MW359.35 g/mol
LogP4.87
Rot. Bonds6

About 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine

1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine (PubChem CID 89355258) has the molecular formula C16H23F6NO and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
PubChem CID89355258
Molecular FormulaC16H23F6NO
Molecular Weight359.35 g/mol
Exact Mass359.17
IUPAC Name1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
SMILESCC(C)=C/C=C/C(OCCN1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H23F6NO/c1-13(2)7-6-8-14(15(17,18)19,16(20,21)22)24-12-11-23-9-4-3-5-10-23/h6-8H,3-5,9-12H2,1-2H3/b8-6+
InChIKeyYIXHMYMKSVWSCW-SOFGYWHQSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.87
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-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine (CID 89355258) is 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine is CC(C)=C/C=C/C(OCCN1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine?
The InChIKey is YIXHMYMKSVWSCW-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H23F6NO/c1-13(2)7-6-8-14(15(17,18)19,16(20,21)22)24-12-11-23-9-4-3-5-10-23/h6-8H,3-5,9-12H2,1-2H3/b8-6+.
What are the key properties of 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine?
1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine has a molecular weight of 359.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 89355258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).