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

C8H14F3NO2 — CID 67296033

IUPAC4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
SMILESCC(C)(OC1CNCC1O)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
InChIKeyQQVSVVJASWDXQG-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds2

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

4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol (PubChem CID 67296033) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
PubChem CID67296033
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
SMILESCC(C)(OC1CNCC1O)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
InChIKeyQQVSVVJASWDXQG-UHFFFAOYSA-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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Related Compounds

rac-(3R,4R)-4-methoxypyrrolidin-3-ol
CID 9942137
trans-4-Methoxy-3-pyrrolidinol
CID 9877358
4-Methoxypyrrolidin-3-ol
CID 22603654
4-(Trifluoromethoxy)pyrrolidin-3-ol
CID 68561106
4-(2,2-Difluoroethoxy)pyrrolidin-3-ol
CID 82004167
(3S,4S)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-3-ol
CID 87344915
(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
CID 130951332
(3R,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-ol
CID 133631654
(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139346082
(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139364401
[(3R,4R)-4-hydroxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 141523953
(3R,4R)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-3-ol
CID 144223144

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol (CID 67296033) is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol is CC(C)(OC1CNCC1O)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
The InChIKey is QQVSVVJASWDXQG-UHFFFAOYSA-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.
What are the key properties of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol?
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 4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol is sourced from PubChem (CID 67296033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).