benzene;1-(2,2,2-trifluoroethyl)piperazine

C12H17F3N2 — CID 145285402

IUPACbenzene;1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNCC1.c1ccccc1
InChIInChI=1S/C6H11F3N2.C6H6/c7-6(8,9)5-11-3-1-10-2-4-11;1-2-4-6-5-3-1/h10H,1-5H2;1-6H
InChIKeyVXYPTTZYVUUIDR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.14
Rot. Bonds1

About benzene;1-(2,2,2-trifluoroethyl)piperazine

benzene;1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 145285402) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is benzene;1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Namebenzene;1-(2,2,2-trifluoroethyl)piperazine
PubChem CID145285402
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Namebenzene;1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNCC1.c1ccccc1
InChIInChI=1S/C6H11F3N2.C6H6/c7-6(8,9)5-11-3-1-10-2-4-11;1-2-4-6-5-3-1/h10H,1-5H2;1-6H
InChIKeyVXYPTTZYVUUIDR-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of benzene;1-(2,2,2-trifluoroethyl)piperazine (CID 145285402) is benzene;1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for benzene;1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for benzene;1-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCNCC1.c1ccccc1.
What is the InChIKey of benzene;1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VXYPTTZYVUUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.C6H6/c7-6(8,9)5-11-3-1-10-2-4-11;1-2-4-6-5-3-1/h10H,1-5H2;1-6H.
What are the key properties of benzene;1-(2,2,2-trifluoroethyl)piperazine?
benzene;1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 246.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 145285402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).