1-[2-(1,1-difluoroethoxy)ethyl]piperazine

C8H16F2N2O — CID 144612190

IUPAC1-[2-(1,1-difluoroethoxy)ethyl]piperazine
SMILESCC(F)(F)OCCN1CCNCC1
InChIInChI=1S/C8H16F2N2O/c1-8(9,10)13-7-6-12-4-2-11-3-5-12/h11H,2-7H2,1H3
InChIKeyNIRXNPFKIMFPGX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(1,1-difluoroethoxy)ethyl]piperazine

1-[2-(1,1-difluoroethoxy)ethyl]piperazine (PubChem CID 144612190) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethoxy)ethyl]piperazine
PubChem CID144612190
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-[2-(1,1-difluoroethoxy)ethyl]piperazine
SMILESCC(F)(F)OCCN1CCNCC1
InChIInChI=1S/C8H16F2N2O/c1-8(9,10)13-7-6-12-4-2-11-3-5-12/h11H,2-7H2,1H3
InChIKeyNIRXNPFKIMFPGX-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(2-(morpholin-4-yl)ethyl)amine
CID 14979282
1-(2-Methoxyethyl)piperazine
CID 2734638
1-(2-Ethoxyethyl)piperazine
CID 2734643
N-(2-(4-Morpholinyl)ethyl)ethylenediamine
CID 79726
1-(2-Propoxyethyl)piperazine
CID 2760475
N-Ethyl-2-(morpholin-4-yl)ethan-1-amine
CID 14518967
1-(2-(Propan-2-yloxy)ethyl)piperazine
CID 18525344
1-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)piperazine
CID 22011784
1-(2-(Trifluoromethoxy)ethyl)piperazine dihydrochloride
CID 122163589
1-(2-Ethoxyethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53590645
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]piperazine (CID 144612190) is 1-[2-(1,1-difluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(1,1-difluoroethoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(1,1-difluoroethoxy)ethyl]piperazine is CC(F)(F)OCCN1CCNCC1.
What is the InChIKey of 1-[2-(1,1-difluoroethoxy)ethyl]piperazine?
The InChIKey is NIRXNPFKIMFPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-8(9,10)13-7-6-12-4-2-11-3-5-12/h11H,2-7H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethoxy)ethyl]piperazine?
1-[2-(1,1-difluoroethoxy)ethyl]piperazine has a molecular weight of 194.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 144612190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).