4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol

C12H23F3N2O — CID 71921429

IUPAC4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
SMILESCC(C)C(O)CCNC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9(2)11(18)3-5-16-10-4-6-17(7-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyNIZGLMBHXWHSKZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds6

About 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol

4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol (PubChem CID 71921429) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
PubChem CID71921429
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
SMILESCC(C)C(O)CCNC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9(2)11(18)3-5-16-10-4-6-17(7-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyNIZGLMBHXWHSKZ-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol (CID 71921429) is 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol is CC(C)C(O)CCNC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol?
The InChIKey is NIZGLMBHXWHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)11(18)3-5-16-10-4-6-17(7-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol?
4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol is sourced from PubChem (CID 71921429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).