1-prop-2-enyl-2-(trifluoromethyl)piperazine

C8H13F3N2 — CID 84720264

IUPAC1-prop-2-enyl-2-(trifluoromethyl)piperazine
SMILESC=CCN1CCNCC1C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-4-13-5-3-12-6-7(13)8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyYTLDPKPMMZRODD-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.01
Rot. Bonds2

About 1-prop-2-enyl-2-(trifluoromethyl)piperazine

1-prop-2-enyl-2-(trifluoromethyl)piperazine (PubChem CID 84720264) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-prop-2-enyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-prop-2-enyl-2-(trifluoromethyl)piperazine
PubChem CID84720264
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-prop-2-enyl-2-(trifluoromethyl)piperazine
SMILESC=CCN1CCNCC1C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-4-13-5-3-12-6-7(13)8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyYTLDPKPMMZRODD-UHFFFAOYSA-N
XLogP1.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684
1-Prop-1-en-2-yl-2-(trifluoromethyl)piperazine
CID 164060317
1-Methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
CID 174261165
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259
N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554000
N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555312

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-prop-2-enyl-2-(trifluoromethyl)piperazine (CID 84720264) is 1-prop-2-enyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-prop-2-enyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-prop-2-enyl-2-(trifluoromethyl)piperazine is C=CCN1CCNCC1C(F)(F)F.
What is the InChIKey of 1-prop-2-enyl-2-(trifluoromethyl)piperazine?
The InChIKey is YTLDPKPMMZRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-4-13-5-3-12-6-7(13)8(9,10)11/h2,7,12H,1,3-6H2.
What are the key properties of 1-prop-2-enyl-2-(trifluoromethyl)piperazine?
1-prop-2-enyl-2-(trifluoromethyl)piperazine has a molecular weight of 194.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 84720264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).