1-(3,3,3-trifluoropropyl)piperazine

C7H13F3N2 — CID 22281413

IUPAC1-(3,3,3-trifluoropropyl)piperazine
SMILESFC(F)(F)CCN1CCNCC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)1-4-12-5-2-11-3-6-12/h11H,1-6H2
InChIKeyPYSUBPCPJRBSGH-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.84
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperazine

1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 22281413) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperazine
PubChem CID22281413
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperazine
SMILESFC(F)(F)CCN1CCNCC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)1-4-12-5-2-11-3-6-12/h11H,1-6H2
InChIKeyPYSUBPCPJRBSGH-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)piperazine
CID 9533921
2-(Trifluoromethyl)piperazine
CID 18519725
1-(2,2-Difluoroethyl)piperazine
CID 19622797
1-(2-Fluoroethyl)piperazine
CID 21082672
2-(4,4-Difluoropiperidin-1-yl)ethan-1-amine
CID 2758354
1-(2,2,2-Trifluoroethyl)piperazine dihydrochloride
CID 16312067
2-(1,1-Difluoroethyl)piperazine
CID 19763581
2-(2,2,2-Trifluoroethyl)piperazine
CID 54215917
3-(Difluoromethyl)-1-methylpiperazine
CID 58803022
3,3-Dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64833235
1-(Trifluoromethyl)piperazine hydrochloride
CID 68386721
2-Methyl-1-(2,2,2-trifluoroethyl)piperazine hydrochloride
CID 71757579

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperazine (CID 22281413) is 1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperazine is FC(F)(F)CCN1CCNCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is PYSUBPCPJRBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)1-4-12-5-2-11-3-6-12/h11H,1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperazine?
1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 182.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 22281413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).