tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate

C11H20F2N2O2 — CID 56604778

IUPACtert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)8-9(12)13/h9H,4-8H2,1-3H3
InChIKeyDNMQTIGGYJPTHL-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate

tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate (PubChem CID 56604778) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate
PubChem CID56604778
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)8-9(12)13/h9H,4-8H2,1-3H3
InChIKeyDNMQTIGGYJPTHL-UHFFFAOYSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate (CID 56604778) is tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(F)F)CC1.
What is the InChIKey of tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate?
The InChIKey is DNMQTIGGYJPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)8-9(12)13/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate?
tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate has a molecular weight of 250.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-difluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 56604778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).