1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine

C9H15F3N2 — CID 171276166

IUPAC1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine
SMILESC=CC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14/h2,8,13H,1,3-7H2/t8-/m0/s1
InChIKeyZZRPWCZRKLZDKY-QMMMGPOBSA-N
MW208.23 g/mol
LogP1.40
Rot. Bonds3

About 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine

1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine (PubChem CID 171276166) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine
PubChem CID171276166
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine
SMILESC=CC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14/h2,8,13H,1,3-7H2/t8-/m0/s1
InChIKeyZZRPWCZRKLZDKY-QMMMGPOBSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.40
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-trifluoropent-4-en-2-yl]piperazine?
The IUPAC name of 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine (CID 171276166) is 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine?
The canonical SMILES for 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine is C=CC[C@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine?
The InChIKey is ZZRPWCZRKLZDKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14/h2,8,13H,1,3-7H2/t8-/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine?
1-[(2S)-1,1,1-trifluoropent-4-en-2-yl]piperazine has a molecular weight of 208.23 g/mol, XLogP of 1.40, 3 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-trifluoropent-4-en-2-yl]piperazine is sourced from PubChem (CID 171276166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).