[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol

C9H16F3NO2 — CID 102788218

IUPAC[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCOC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NO2/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyWSJIKGBGMTUGDO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.23
Rot. Bonds4

About [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 102788218) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID102788218
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCOC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NO2/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyWSJIKGBGMTUGDO-UHFFFAOYSA-N
XLogP1.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol (CID 102788218) is [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol is CC1CCN(CCOC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is WSJIKGBGMTUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7-2-3-13(8(7)6-14)4-5-15-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).