1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine

C10H17F3N2 — CID 171276184

IUPAC1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine
SMILESC=CCC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-2-3-4-9(10(11,12)13)15-7-5-14-6-8-15/h2,9,14H,1,3-8H2/t9-/m0/s1
InChIKeyLYRGJBYRPSXMGD-VIFPVBQESA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

About 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine

1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine (PubChem CID 171276184) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine
PubChem CID171276184
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine
SMILESC=CCC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-2-3-4-9(10(11,12)13)15-7-5-14-6-8-15/h2,9,14H,1,3-8H2/t9-/m0/s1
InChIKeyLYRGJBYRPSXMGD-VIFPVBQESA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine?
The IUPAC name of 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine (CID 171276184) is 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine?
The canonical SMILES for 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine is C=CCC[C@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine?
The InChIKey is LYRGJBYRPSXMGD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F3N2/c1-2-3-4-9(10(11,12)13)15-7-5-14-6-8-15/h2,9,14H,1,3-8H2/t9-/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine?
1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine is sourced from PubChem (CID 171276184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).