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

C7H13F3N2O — CID 63703144

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCN(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C7H13F3N2O/c1-12(4-7(8,9)10)5-2-11-3-6(5)13/h5-6,11,13H,2-4H2,1H3
InChIKeyXGUBCHWSSGQFRQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.19
Rot. Bonds2

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

4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (PubChem CID 63703144) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
PubChem CID63703144
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCN(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C7H13F3N2O/c1-12(4-7(8,9)10)5-2-11-3-6(5)13/h5-6,11,13H,2-4H2,1H3
InChIKeyXGUBCHWSSGQFRQ-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (CID 63703144) is 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is CN(CC(F)(F)F)C1CNCC1O.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The InChIKey is XGUBCHWSSGQFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-12(4-7(8,9)10)5-2-11-3-6(5)13/h5-6,11,13H,2-4H2,1H3.
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol has a molecular weight of 198.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63703144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).