1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile

C8H12F3N3O — CID 79086405

IUPAC1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCOC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-2-1-13-6-7(14)5-12/h7,13H,1-4,6H2
InChIKeyHHEDISMEBQTAER-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.32
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile

1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile (PubChem CID 79086405) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
PubChem CID79086405
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCOC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-2-1-13-6-7(14)5-12/h7,13H,1-4,6H2
InChIKeyHHEDISMEBQTAER-UHFFFAOYSA-N
XLogP0.32
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
CID 79085130
1-[2-(4-tert-butylphenoxy)ethyl]piperazine-2-carbonitrile
CID 79094837
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-[2-(2-methoxyphenoxy)ethyl]piperazine-2-carbonitrile
CID 79085566
3-(2-cyanopiperazin-1-yl)propanamide
CID 79086609
1-(3-phenoxypropyl)piperazine-2-carbonitrile
CID 79085976
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile
CID 79085851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile (CID 79086405) is 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile is N#CC1CNCCN1CCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile?
The InChIKey is HHEDISMEBQTAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-2-1-13-6-7(14)5-12/h7,13H,1-4,6H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile?
1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile has a molecular weight of 223.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79086405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).