(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol

C7H15F3N2O — CID 118190369

IUPAC(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
SMILESCNCCN(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-11-3-4-12(2)5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyQMWFMBJWERTKRO-ZCFIWIBFSA-N
MW200.20 g/mol
LogP0.06
Rot. Bonds5

About (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol (PubChem CID 118190369) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
PubChem CID118190369
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
SMILESCNCCN(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-11-3-4-12(2)5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyQMWFMBJWERTKRO-ZCFIWIBFSA-N
XLogP0.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol (CID 118190369) is (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol is CNCCN(C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol?
The InChIKey is QMWFMBJWERTKRO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-11-3-4-12(2)5-6(13)7(8,9)10/h6,11,13H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol has a molecular weight of 200.20 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol is sourced from PubChem (CID 118190369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).