1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine

C10H13F3N2 — CID 177171535

IUPAC1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(F)/C(F)=C(/F)C(=C)N1CCNCC1
InChIInChI=1S/C10H13F3N2/c1-7(11)9(12)10(13)8(2)15-5-3-14-4-6-15/h14H,1-6H2/b10-9-
InChIKeyFEIMALOZHMKGFR-KTKRTIGZSA-N
MW218.22 g/mol
LogP2.04
Rot. Bonds3

About 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine

1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine (PubChem CID 177171535) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine
PubChem CID177171535
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(F)/C(F)=C(/F)C(=C)N1CCNCC1
InChIInChI=1S/C10H13F3N2/c1-7(11)9(12)10(13)8(2)15-5-3-14-4-6-15/h14H,1-6H2/b10-9-
InChIKeyFEIMALOZHMKGFR-KTKRTIGZSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine (CID 177171535) is 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine is C=C(F)/C(F)=C(/F)C(=C)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine?
The InChIKey is FEIMALOZHMKGFR-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7(11)9(12)10(13)8(2)15-5-3-14-4-6-15/h14H,1-6H2/b10-9-.
What are the key properties of 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine?
1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine has a molecular weight of 218.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 177171535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).