2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile

C12H18F3N3 — CID 62968225

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-7,9H2
InChIKeyJTQAVDJJXSJCFY-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.86
Rot. Bonds2

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 62968225) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID62968225
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-7,9H2
InChIKeyJTQAVDJJXSJCFY-UHFFFAOYSA-N
XLogP1.86
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile (CID 62968225) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile is N#CC1CCCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is JTQAVDJJXSJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-7,9H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).