[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol

C8H15F3N2O — CID 62976053

IUPAC[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-13-3-2-7(5-13,6-14)12-4-8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyJLAKMVVMUQZOEX-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.20
Rot. Bonds3

About [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol

[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol (PubChem CID 62976053) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
PubChem CID62976053
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-13-3-2-7(5-13,6-14)12-4-8(9,10)11/h12,14H,2-6H2,1H3
InChIKeyJLAKMVVMUQZOEX-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol (CID 62976053) is [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol is CN1CCC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is JLAKMVVMUQZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-13-3-2-7(5-13,6-14)12-4-8(9,10)11/h12,14H,2-6H2,1H3.
What are the key properties of [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
[1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62976053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).