1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine

C11H17F3N2 — CID 142862529

IUPAC1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
SMILESC/C=C\C(=C/CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H17F3N2/c1-2-3-10(4-5-11(12,13)14)16-8-6-15-7-9-16/h2-4,15H,5-9H2,1H3/b3-2-,10-4+
InChIKeyZUPTYTZDZSTVPK-RVQAKMSSSA-N
MW234.26 g/mol
LogP2.30
Rot. Bonds3

About 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine

1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine (PubChem CID 142862529) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine.

Molecular Properties

Compound Name1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
PubChem CID142862529
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
SMILESC/C=C\C(=C/CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H17F3N2/c1-2-3-10(4-5-11(12,13)14)16-8-6-15-7-9-16/h2-4,15H,5-9H2,1H3/b3-2-,10-4+
InChIKeyZUPTYTZDZSTVPK-RVQAKMSSSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
CID 87668495
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine?
The IUPAC name of 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine (CID 142862529) is 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine.
What is the SMILES notation for 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine?
The canonical SMILES for 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine is C/C=C\C(=C/CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine?
The InChIKey is ZUPTYTZDZSTVPK-RVQAKMSSSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-2-3-10(4-5-11(12,13)14)16-8-6-15-7-9-16/h2-4,15H,5-9H2,1H3/b3-2-,10-4+.
What are the key properties of 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine?
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine has a molecular weight of 234.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine is sourced from PubChem (CID 142862529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).