1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine

C9H18F2N2O — CID 118403895

IUPAC1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOC(C)(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c1-9(10,11)14-8-7-13-5-3-12(2)4-6-13/h3-8H2,1-2H3
InChIKeyPOSBMISNUVLIPV-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.86
Rot. Bonds4

About 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine

1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine (PubChem CID 118403895) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine
PubChem CID118403895
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOC(C)(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c1-9(10,11)14-8-7-13-5-3-12(2)4-6-13/h3-8H2,1-2H3
InChIKeyPOSBMISNUVLIPV-UHFFFAOYSA-N
XLogP0.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine (CID 118403895) is 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine is CN1CCN(CCOC(C)(F)F)CC1.
What is the InChIKey of 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine?
The InChIKey is POSBMISNUVLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-9(10,11)14-8-7-13-5-3-12(2)4-6-13/h3-8H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine?
1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine has a molecular weight of 208.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethoxy)ethyl]-4-methylpiperazine is sourced from PubChem (CID 118403895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).