2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine

C9H18F2N2 — CID 176665543

IUPAC2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNCC1CC(F)F
InChIInChI=1S/C9H18F2N2/c1-7(2)13-4-3-12-6-8(13)5-9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyFNMOKJRWCALIMJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.32
Rot. Bonds3

About 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine

2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine (PubChem CID 176665543) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine
PubChem CID176665543
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNCC1CC(F)F
InChIInChI=1S/C9H18F2N2/c1-7(2)13-4-3-12-6-8(13)5-9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyFNMOKJRWCALIMJ-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine?
The IUPAC name of 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine (CID 176665543) is 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine is CC(C)N1CCNCC1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine?
The InChIKey is FNMOKJRWCALIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)13-4-3-12-6-8(13)5-9(10)11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine?
2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine has a molecular weight of 192.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 176665543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).