1-(2,2-difluoroethyl)-2-ethylpiperazine

C8H16F2N2 — CID 63600944

IUPAC1-(2,2-difluoroethyl)-2-ethylpiperazine
SMILESCCC1CNCCN1CC(F)F
InChIInChI=1S/C8H16F2N2/c1-2-7-5-11-3-4-12(7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyMMVYAFZHVLPBHD-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-ethylpiperazine

1-(2,2-difluoroethyl)-2-ethylpiperazine (PubChem CID 63600944) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-ethylpiperazine
PubChem CID63600944
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(2,2-difluoroethyl)-2-ethylpiperazine
SMILESCCC1CNCCN1CC(F)F
InChIInChI=1S/C8H16F2N2/c1-2-7-5-11-3-4-12(7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyMMVYAFZHVLPBHD-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-7-ethyl-1,4-diazepane
CID 172843294
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
2-ethyl-1-(2-methylbutyl)piperazine
CID 63601291
1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
CID 163270154
2-ethyl-1-(1,2,2-trifluoroethyl)piperazine
CID 174972427
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
1-(2-ethylbutyl)-2-propylpiperazine
CID 82923563
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112589887
1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64846849

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-ethylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-ethylpiperazine (CID 63600944) is 1-(2,2-difluoroethyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-ethylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-ethylpiperazine is CCC1CNCCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-ethylpiperazine?
The InChIKey is MMVYAFZHVLPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-2-7-5-11-3-4-12(7)6-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-ethylpiperazine?
1-(2,2-difluoroethyl)-2-ethylpiperazine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-ethylpiperazine is sourced from PubChem (CID 63600944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).