1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine

C8H11F5N2 — CID 163511269

IUPAC1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCNCC1
InChIInChI=1S/C8H11F5N2/c1-6(7(9,10)11)8(12,13)15-4-2-14-3-5-15/h14H,1-5H2
InChIKeyDCXACHDSPGUYDU-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.60
Rot. Bonds2

About 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine

1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine (PubChem CID 163511269) has the molecular formula C8H11F5N2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
PubChem CID163511269
Molecular FormulaC8H11F5N2
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCNCC1
InChIInChI=1S/C8H11F5N2/c1-6(7(9,10)11)8(12,13)15-4-2-14-3-5-15/h14H,1-5H2
InChIKeyDCXACHDSPGUYDU-UHFFFAOYSA-N
XLogP1.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine
CID 126709994
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129207493
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207516
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129207798
1-[1,1,3,3-Tetrafluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129271750
1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
CID 129271800
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine
CID 146426202
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperazine
CID 84707209
N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070421
N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070422
N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070423
2-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070424

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine (CID 163511269) is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine is C=C(C(F)(F)F)C(F)(F)N1CCNCC1.
What is the InChIKey of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The InChIKey is DCXACHDSPGUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2/c1-6(7(9,10)11)8(12,13)15-4-2-14-3-5-15/h14H,1-5H2.
What are the key properties of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine has a molecular weight of 230.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine is sourced from PubChem (CID 163511269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).