1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine

C11H20F3N3 — CID 81170593

IUPAC1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10(15)2-1-3-10/h1-9,15H2
InChIKeyDLBOOCNORGTQST-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.05
Rot. Bonds3

About 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine

1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 81170593) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine
PubChem CID81170593
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10(15)2-1-3-10/h1-9,15H2
InChIKeyDLBOOCNORGTQST-UHFFFAOYSA-N
XLogP1.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine (CID 81170593) is 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine is NC1(CN2CCN(CC(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is DLBOOCNORGTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10(15)2-1-3-10/h1-9,15H2.
What are the key properties of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).