(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol

C8H14F3NO2 — CID 40852852

IUPAC(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
SMILESO[C@H](CNC[C@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2/t6-,7-/m1/s1
InChIKeyZKQYVJNPHNSTQA-RNFRBKRXSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds4

About (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol (PubChem CID 40852852) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
PubChem CID40852852
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
SMILESO[C@H](CNC[C@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2/t6-,7-/m1/s1
InChIKeyZKQYVJNPHNSTQA-RNFRBKRXSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
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-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol (CID 40852852) is (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol is O[C@H](CNC[C@H]1CCCO1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The InChIKey is ZKQYVJNPHNSTQA-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 4 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-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 40852852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).