1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine

C9H11F7N2 — CID 129207798

IUPAC1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
SMILESC=C(C(F)N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H11F7N2/c1-6(8(11,12)13)7(10)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2
InChIKeyBPLOHLQKLCIYOH-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine

1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine (PubChem CID 129207798) has the molecular formula C9H11F7N2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
PubChem CID129207798
Molecular FormulaC9H11F7N2
Molecular Weight280.19 g/mol
Exact Mass280.08
IUPAC Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
SMILESC=C(C(F)N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H11F7N2/c1-6(8(11,12)13)7(10)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2
InChIKeyBPLOHLQKLCIYOH-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-4-(trifluoromethyl)piperazine
CID 124118224
1-(Trifluoromethyl)-4-(1,2,2-trifluoro-3-methylbut-3-enyl)piperazine
CID 124118227
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129207493
1-(Trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)piperazine
CID 129207510
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207516
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129207791
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
CID 129207799
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207812
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129271427
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine (CID 129207798) is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine is C=C(C(F)N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine?
The InChIKey is BPLOHLQKLCIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7N2/c1-6(8(11,12)13)7(10)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2.
What are the key properties of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine?
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine has a molecular weight of 280.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 129207798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).