3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine

C11H20F3N3O — CID 64892620

IUPAC3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-4-2-16(3-5-17)7-10(15)1-6-18-9-10/h1-9,15H2
InChIKeyICZHZSBNWFXZPA-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.28
Rot. Bonds3

About 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine

3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine (PubChem CID 64892620) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
PubChem CID64892620
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-4-2-16(3-5-17)7-10(15)1-6-18-9-10/h1-9,15H2
InChIKeyICZHZSBNWFXZPA-UHFFFAOYSA-N
XLogP0.28
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine (CID 64892620) is 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine is NC1(CN2CCN(CC(F)(F)F)CC2)CCOC1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
The InChIKey is ICZHZSBNWFXZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)8-17-4-2-16(3-5-17)7-10(15)1-6-18-9-10/h1-9,15H2.
What are the key properties of 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine?
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine has a molecular weight of 267.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 64892620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).