(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol

C7H12F3NO2 — CID 130757273

IUPAC(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol
SMILESCN(CC(F)(F)F)[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H12F3NO2/c1-11(4-7(8,9)10)5-2-13-3-6(5)12/h5-6,12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyJFXXSWPEBMIYKF-PHDIDXHHSA-N
MW199.17 g/mol
LogP0.24
Rot. Bonds2

About (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol

(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol (PubChem CID 130757273) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol
PubChem CID130757273
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol
SMILESCN(CC(F)(F)F)[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H12F3NO2/c1-11(4-7(8,9)10)5-2-13-3-6(5)12/h5-6,12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyJFXXSWPEBMIYKF-PHDIDXHHSA-N
XLogP0.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol (CID 130757273) is (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol is CN(CC(F)(F)F)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol?
The InChIKey is JFXXSWPEBMIYKF-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(4-7(8,9)10)5-2-13-3-6(5)12/h5-6,12H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol?
(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol has a molecular weight of 199.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol is sourced from PubChem (CID 130757273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).