3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine

C12H21F3N2 — CID 64832688

IUPAC3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-17-7-6-16-11(8-17)10-4-2-1-3-5-10/h10-11,16H,1-9H2
InChIKeyYFXCWCOUKSIQIO-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds2

About 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine

3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64832688) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64832688
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-17-7-6-16-11(8-17)10-4-2-1-3-5-10/h10-11,16H,1-9H2
InChIKeyYFXCWCOUKSIQIO-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64832688) is 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is YFXCWCOUKSIQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)9-17-7-6-16-11(8-17)10-4-2-1-3-5-10/h10-11,16H,1-9H2.
What are the key properties of 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine?
3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64832688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).