1-[1-(trifluoromethyl)cyclopropyl]piperazine

C8H13F3N2 — CID 106211464

IUPAC1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESFC(F)(F)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(1-2-7)13-5-3-12-4-6-13/h12H,1-6H2
InChIKeyIUYMYKNEXQEOOM-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.99
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]piperazine

1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 106211464) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID106211464
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESFC(F)(F)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(1-2-7)13-5-3-12-4-6-13/h12H,1-6H2
InChIKeyIUYMYKNEXQEOOM-UHFFFAOYSA-N
XLogP0.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 106211464) is 1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]piperazine is FC(F)(F)C1(N2CCNCC2)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is IUYMYKNEXQEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)7(1-2-7)13-5-3-12-4-6-13/h12H,1-6H2.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]piperazine?
1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 194.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 106211464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).