2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine

C14H28F2N2 — CID 64862368

IUPAC2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine
SMILESCCC1(CC)CN(CC(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28F2N2/c1-6-14(7-2)10-18(9-12(15)16)11(8-17-14)13(3,4)5/h11-12,17H,6-10H2,1-5H3
InChIKeyRFSVGCGKVYPUCG-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.13
Rot. Bonds4

About 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine

2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine (PubChem CID 64862368) has the molecular formula C14H28F2N2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine
PubChem CID64862368
Molecular FormulaC14H28F2N2
Molecular Weight262.39 g/mol
Exact Mass262.22
IUPAC Name2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine
SMILESCCC1(CC)CN(CC(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C14H28F2N2/c1-6-14(7-2)10-18(9-12(15)16)11(8-17-14)13(3,4)5/h11-12,17H,6-10H2,1-5H3
InChIKeyRFSVGCGKVYPUCG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine?
The IUPAC name of 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine (CID 64862368) is 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine is CCC1(CC)CN(CC(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine?
The InChIKey is RFSVGCGKVYPUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2/c1-6-14(7-2)10-18(9-12(15)16)11(8-17-14)13(3,4)5/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine?
2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine has a molecular weight of 262.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-difluoroethyl)-5,5-diethylpiperazine is sourced from PubChem (CID 64862368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).