1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one

C10H18F2N2O — CID 140895664

IUPAC1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(CC(F)F)CC1=O
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)14-5-4-13(6-8(11)12)7-9(14)15/h8H,4-7H2,1-3H3
InChIKeyRZSOWQVBXBRAPX-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.19
Rot. Bonds2

About 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one

1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one (PubChem CID 140895664) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one
PubChem CID140895664
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(CC(F)F)CC1=O
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)14-5-4-13(6-8(11)12)7-9(14)15/h8H,4-7H2,1-3H3
InChIKeyRZSOWQVBXBRAPX-UHFFFAOYSA-N
XLogP1.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one (CID 140895664) is 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one is CC(C)(C)N1CCN(CC(F)F)CC1=O.
What is the InChIKey of 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one?
The InChIKey is RZSOWQVBXBRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,3)14-5-4-13(6-8(11)12)7-9(14)15/h8H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one?
1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one has a molecular weight of 220.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-difluoroethyl)piperazin-2-one is sourced from PubChem (CID 140895664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).