1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)

C10H15F7N2O4 — CID 87238377

IUPAC1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESFCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13FN2.2C2HF3O2/c7-1-4-9-5-2-8-3-6-9;2*3-2(4,5)1(6)7/h8H,1-6H2;2*(H,6,7)
InChIKeySPGRWLPEUBBPHJ-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.13
Rot. Bonds2

About 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87238377) has the molecular formula C10H15F7N2O4 and a molecular weight of 360.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87238377
Molecular FormulaC10H15F7N2O4
Molecular Weight360.23 g/mol
Exact Mass360.09
IUPAC Name1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESFCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13FN2.2C2HF3O2/c7-1-4-9-5-2-8-3-6-9;2*3-2(4,5)1(6)7/h8H,1-6H2;2*(H,6,7)
InChIKeySPGRWLPEUBBPHJ-UHFFFAOYSA-N
XLogP1.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 87238377) is 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) is FCCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SPGRWLPEUBBPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2.2C2HF3O2/c7-1-4-9-5-2-8-3-6-9;2*3-2(4,5)1(6)7/h8H,1-6H2;2*(H,6,7).
What are the key properties of 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 360.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87238377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).