[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol

C8H14F3NO2 — CID 166984363

IUPAC[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol
SMILESCN1CC(OCC(F)(F)F)CC1CO
InChIInChI=1S/C8H14F3NO2/c1-12-3-7(2-6(12)4-13)14-5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyVTDFSHAFDFYZPQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.63
Rot. Bonds3

About [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol

[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol (PubChem CID 166984363) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol
PubChem CID166984363
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol
SMILESCN1CC(OCC(F)(F)F)CC1CO
InChIInChI=1S/C8H14F3NO2/c1-12-3-7(2-6(12)4-13)14-5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyVTDFSHAFDFYZPQ-UHFFFAOYSA-N
XLogP0.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol (CID 166984363) is [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol is CN1CC(OCC(F)(F)F)CC1CO.
What is the InChIKey of [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol?
The InChIKey is VTDFSHAFDFYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-12-3-7(2-6(12)4-13)14-5-8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol?
[1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol has a molecular weight of 213.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2,2,2-trifluoroethoxy)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166984363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).