2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol

C12H23F3N2O — CID 65337886

IUPAC2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
SMILESCC(NCC1CCN(CC(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C12H23F3N2O/c1-9(11(2,3)18)16-6-10-4-5-17(7-10)8-12(13,14)15/h9-10,16,18H,4-8H2,1-3H3
InChIKeyYPYIEEATLVXKIN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

About 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol

2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol (PubChem CID 65337886) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
PubChem CID65337886
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
SMILESCC(NCC1CCN(CC(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C12H23F3N2O/c1-9(11(2,3)18)16-6-10-4-5-17(7-10)8-12(13,14)15/h9-10,16,18H,4-8H2,1-3H3
InChIKeyYPYIEEATLVXKIN-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol (CID 65337886) is 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol is CC(NCC1CCN(CC(F)(F)F)C1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol?
The InChIKey is YPYIEEATLVXKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(11(2,3)18)16-6-10-4-5-17(7-10)8-12(13,14)15/h9-10,16,18H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol?
2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol is sourced from PubChem (CID 65337886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).