(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol

C8H14F3NO2 — CID 130951332

IUPAC(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
SMILESCC(C)(O[C@@H]1CNC[C@H]1O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,8(9,10)11)14-6-4-12-3-5(6)13/h5-6,12-13H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQQVSVVJASWDXQG-PHDIDXHHSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds2

About (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol

(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol (PubChem CID 130951332) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
PubChem CID130951332
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
SMILESCC(C)(O[C@@H]1CNC[C@H]1O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,8(9,10)11)14-6-4-12-3-5(6)13/h5-6,12-13H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyQQVSVVJASWDXQG-PHDIDXHHSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol (CID 130951332) is (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol is CC(C)(O[C@@H]1CNC[C@H]1O)C(F)(F)F.
What is the InChIKey of (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The InChIKey is QQVSVVJASWDXQG-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,8(9,10)11)14-6-4-12-3-5(6)13/h5-6,12-13H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol is sourced from PubChem (CID 130951332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).